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

*Links on SpectraBase are not permalinks.
Butanoic acid, 4-cyano-2-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
SpectraBase Compound ID H3Y9MtSQ8n6
InChI InChI=1S/C20H28N2O5/c1-19(2,3)14-11-13(26-7)12-15(20(4,5)6)17(14)27-18(23)16(22(24)25)9-8-10-21/h11-12,16H,8-9H2,1-7H3
InChIKey VUEVCXICWZQWSG-UHFFFAOYSA-N
Mol Weight 376.45 g/mol
Molecular Formula C20H28N2O5
Exact Mass 376.199822 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 Jyqbpcj1DRi
Name BUTANOIC ACID, 4-CYANO-2-NITRO-, 2,6-BIS(1,1-DIMETHYLETHYL)-4-METHOXYPHENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H28N2O5
InChI InChI=1S/C20H28N2O5/c1-19(2,3)14-11-13(26-7)12-15(20(4,5)6)17(14)27-18(23)16(22(24)25)9-8-10-21/h11-12,16H,8-9H2,1-7H3
InChIKey VUEVCXICWZQWSG-UHFFFAOYSA-N
Molecular Weight 376.1991
SMILES COc1cc(C(C)(C)C)c(OC(C(CCC#N)N(=O)=O)=O)c(C(C)(C)C)c1
SPLASH splash10-052r-9660000000-512c2625d732cefafd55
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany