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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13NO
Molecular Weight 199.2484
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-2-(1,6,7,8-TETRAHYDRO-2H-(5,4-B)FURAN-8-YL)ACETONITRILE

SMILES

N#CC[C@@H]1CCC2=CC=C3OCCC3=C12

InChI

InChIKey=WPIVLYZNFICYFP-JTQLQIEISA-N
InChI=1S/C13H13NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h3-4,10H,1-2,5-6,8H2/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H13NO
Molecular Weight 199.2484
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:34:01 GMT 2023
Edited
by admin
on Sat Dec 16 18:34:01 GMT 2023
Record UNII
EAQ2A4JT28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-2-(1,6,7,8-TETRAHYDRO-2H-(5,4-B)FURAN-8-YL)ACETONITRILE
Systematic Name English
2H-INDENO(5,4-B)FURAN-8-ACETONITRILE, 1,6,7,8-TETRAHYDRO-, (8S)-
Systematic Name English
(8S)-1,6,7,8-TETRAHYDRO-2H-INDENO(5,4-B)FURAN-8-ACETONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
45278777
Created by admin on Sat Dec 16 18:34:01 GMT 2023 , Edited by admin on Sat Dec 16 18:34:01 GMT 2023
PRIMARY PUBCHEM
FDA UNII
EAQ2A4JT28
Created by admin on Sat Dec 16 18:34:01 GMT 2023 , Edited by admin on Sat Dec 16 18:34:01 GMT 2023
PRIMARY
CAS
1185516-79-3
Created by admin on Sat Dec 16 18:34:01 GMT 2023 , Edited by admin on Sat Dec 16 18:34:01 GMT 2023
PRIMARY