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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)

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SpectraBase Spectrum ID B2xNA1vRb9r
Name Butanoic acid, 4-cyano-2-nitro-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
Alternate Name(s) 2,6-Ditert-butyl-4-methoxyphenyl 4-cyano-2-nitrobutanoate 4-cyano-2-nitro-butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester 4-cyano-2-nitrobutanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester (2,6-ditert-butyl-4-methoxyphenyl) 4-cyano-2-nitrobutanoate
CAS Registry Number 113719-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 376.453 g/mol
SMILES CC(c1cc(OC)cc(c1OC(=O)C(N(=O)=O)CCC#N)C(C)(C)C)(C)C
SPLASH splash10-0abl-9030000000-aebda664a17ce4fbd634
Source of Spectrum H-70-1511-6
Wiley ID 1357701