For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) acetate
SpectraBase Compound ID BYa8XR39ji3
InChI InChI=1S/C14H13N3O2/c1-9-11-6-4-5-7-12(11)16-13(8-15)14(3,17-9)19-10(2)18/h4-7H,1-3H3
InChIKey VLGJUGWDNMOCFT-UHFFFAOYSA-N
Mol Weight 255.28 g/mol
Molecular Formula C14H13N3O2
Exact Mass 255.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4NKluof7C03
Name (2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) acetate
CAS Registry Number 126994-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N3O2
InChI InChI=1S/C14H13N3O2/c1-9-11-6-4-5-7-12(11)16-13(8-15)14(3,17-9)19-10(2)18/h4-7H,1-3H3
InChIKey VLGJUGWDNMOCFT-UHFFFAOYSA-N
Molecular Weight 255.277 g/mol
SMILES C1(C(=Nc2ccccc2C(=N1)C)C#N)(OC(=O)C)C
SPLASH splash10-01oy-0940000000-64a1d293afbd0f16f83e
Source of Spectrum Y-26-1369-46
Synonyms (2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) ethanoate Acetic acid (2-cyano-3,5-dimethyl-1,4-benzodiazepin-3-yl) ester
Wiley ID 1258800