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4-Pentenoic acid, 4-methyl-3-[[(4-methylphenyl)sulfonyl](phenylmethy l)amino]-, 1,1-dimethylethyl ester, (.+-.)-
SpectraBase Compound ID 1OQD1AzwcB0
InChI InChI=1S/C24H31NO4S/c1-18(2)22(16-23(26)29-24(4,5)6)25(17-20-10-8-7-9-11-20)30(27,28)21-14-12-19(3)13-15-21/h7-15,22H,1,16-17H2,2-6H3
InChIKey LHHPPMTZERYPRP-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C24H31NO4S
Exact Mass 429.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYnIuGNSj3G
Name 4-Pentenoic acid, 4-methyl-3-[[(4-methylphenyl)sulfonyl](phenylmethy l)amino]-, 1,1-dimethylethyl ester, (.+-.)-
CAS Registry Number 131544-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO4S
InChI InChI=1S/C24H31NO4S/c1-18(2)22(16-23(26)29-24(4,5)6)25(17-20-10-8-7-9-11-20)30(27,28)21-14-12-19(3)13-15-21/h7-15,22H,1,16-17H2,2-6H3
InChIKey LHHPPMTZERYPRP-UHFFFAOYSA-N
Molecular Weight 429.575 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)Cc1ccccc1)(CC(OC(C)(C)C)=O)C(=C)C
SPLASH splash10-016x-7791000000-dfe2cefc0a958553c577
Source of Spectrum J-56-1033-15
Synonyms tert-Butyl 3-{benzyl[(4-methylphenyl)sulfonyl]amino}-4-methyl-4-pentenoate tert-Butyl 4-methyl-3-(benzyltosylamino)-4-pentenoate
Wiley ID 1381190