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

*Links on SpectraBase are not permalinks.
benzamide, 4-nitro-N-octyl-2-[(phenylmethyl)thio]-
SpectraBase Compound ID A5xj7xyFiPc
InChI InChI=1S/C22H28N2O3S/c1-2-3-4-5-6-10-15-23-22(25)20-14-13-19(24(26)27)16-21(20)28-17-18-11-8-7-9-12-18/h7-9,11-14,16H,2-6,10,15,17H2,1H3,(H,23,25)
InChIKey SIBUBLABMJANOI-UHFFFAOYSA-N
Mol Weight 400.54 g/mol
Molecular Formula C22H28N2O3S
Exact Mass 400.182064 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 B8ri8p9Bz4t
Name 2-Benzylsulfanyl-4-nitro-n-octyl-benzamide
Alternate Name(s) 2-(benzylthio)-4-nitro-N-octyl-benzamide 4-Nitro-N-octyl-2-(phenylmethylsulfanyl)benzamide 4-Nitro-N-octyl-2-(phenylmethylthio)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O3S
InChI InChI=1S/C22H28N2O3S/c1-2-3-4-5-6-10-15-23-22(25)20-14-13-19(24(26)27)16-21(20)28-17-18-11-8-7-9-12-18/h7-9,11-14,16H,2-6,10,15,17H2,1H3,(H,23,25)
InChIKey SIBUBLABMJANOI-UHFFFAOYSA-N
Molecular Weight 400.537 g/mol
SMILES N(C(c1c(cc(N(=O)=O)cc1)SCc1ccccc1)=O)CCCCCCCC
SPLASH splash10-0006-9101000000-ad369f71c3212afce2e0
Wiley ID 1459661