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Carbamic acid, N-methyl-N-(phenylmethyl)-, 2-[2-(1-cyano-3,3-dimethyl-2-oxobutyl)diazenyl]-4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl ester

View entire compound with spectra: 1 MS (GC)

Carbamic acid, N-methyl-N-(phenylmethyl)-, 2-[2-(1-cyano-3,3-dimethyl-2-oxobutyl)diazenyl]-4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl ester
SpectraBase Compound ID 1aLKYK9fXco
InChI InChI=1S/C26H33N5O5S/c1-25(2,3)23(32)21(16-27)29-28-20-15-19(37(34,35)30-26(4,5)6)13-14-22(20)36-24(33)31(7)17-18-11-9-8-10-12-18/h8-15,21,30H,17H2,1-7H3/b29-28+
InChIKey VXRLNPUSJXNJMD-ZQHSETAFSA-N
Mol Weight 527.6 g/mol
Molecular Formula C26H33N5O5S
Exact Mass 527.22024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqidW8g96lL
Name Carbamic acid, N-methyl-N-(phenylmethyl)-, 2-[2-(1-cyano-3,3-dimethyl-2-oxobutyl)diazenyl]-4-[[(1,1-dimethylethyl)amino]sulfonyl]phenyl ester
Alternate Name(s) 4-(N-(tert-butyl)sulfamoyl)-2-((1-cyano-3,3-dimethyl-2-oxobutyl)diazenyl)phenyl benzyl(methyl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N5O5S
InChI InChI=1S/C26H33N5O5S/c1-25(2,3)23(32)21(16-27)29-28-20-15-19(37(34,35)30-26(4,5)6)13-14-22(20)36-24(33)31(7)17-18-11-9-8-10-12-18/h8-15,21,30H,17H2,1-7H3/b29-28+
InChIKey VXRLNPUSJXNJMD-ZQHSETAFSA-N
Molecular Weight 527.640 g/mol
SMILES N(S(c1ccc(OC(N(C)Cc2ccccc2)=O)c(c1)\N=N\C(C#N)C(=O)C(C)(C)C)(=O)=O)C(C)(C)C
SPLASH splash10-052f-9311100000-2514e3850e09a33e014c
Source of Spectrum JX-2015-4-1070
Wiley ID 1726472