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Butanoic acid, 2-nitro-4-(phenylthio)-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
SpectraBase Compound ID BYJm1qiufxy
InChI InChI=1S/C25H33NO5S/c1-24(2,3)19-15-17(30-7)16-20(25(4,5)6)22(19)31-23(27)21(26(28)29)13-14-32-18-11-9-8-10-12-18/h8-12,15-16,21H,13-14H2,1-7H3
InChIKey NFTWPJZKOYWWHX-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C25H33NO5S
Exact Mass 459.207944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZq98Z4mqvY
Name Butanoic acid, 2-nitro-4-(phenylthio)-, 2,6-bis(1,1-dimethylethyl)-4-methoxyphenyl ester
Alternate Name(s) 2,6-Ditert-butyl-4-methoxyphenyl 2-nitro-4-(phenylsulfanyl)butanoate 2-Nitro-4-(phenylthio)butanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester 2-Nitro-4-(phenylthio)butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester (2,6-ditert-butyl-4-methoxyphenyl) 2-nitro-4-phenylsulfanylbutanoate
CAS Registry Number 113719-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO5S
InChI InChI=1S/C25H33NO5S/c1-24(2,3)19-15-17(30-7)16-20(25(4,5)6)22(19)31-23(27)21(26(28)29)13-14-32-18-11-9-8-10-12-18/h8-12,15-16,21H,13-14H2,1-7H3
InChIKey NFTWPJZKOYWWHX-UHFFFAOYSA-N
Molecular Weight 459.601 g/mol
SMILES CC(c1cc(cc(c1OC(C(CCSc1ccccc1)N(=O)=O)=O)C(C)(C)C)OC)(C)C
SPLASH splash10-05fr-9860000000-d11a85398a7bdef1e488
Wiley ID 1486742