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2-(Benzhydrylidene-amino)-3-(toluene-4-sulfonylmethyl)-pentanedioic acid 5-ethyl ester 1-methyl ester
SpectraBase Compound ID 1cQO4oObBkd
InChI InChI=1S/C29H31NO6S/c1-4-36-26(31)19-24(20-37(33,34)25-17-15-21(2)16-18-25)28(29(32)35-3)30-27(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24,28H,4,19-20H2,1-3H3
InChIKey FMJDGLMWEPBZLH-UHFFFAOYSA-N
Mol Weight 521.63 g/mol
Molecular Formula C29H31NO6S
Exact Mass 521.187209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0usgKaMNpg
Name 2-(Benzhydrylidene-amino)-3-(toluene-4-sulfonylmethyl)-pentanedioic acid 5-ethyl ester 1-methyl ester
Alternate Name(s) Methyl 4-(ethoxycarbonyl)-2-(diphenylmethylidenamino)-3-(tosylmethyl)butanoate Methyl 4-(ethoxycarbonyl)-2-(diphenylmethylidenamino)-3-(tosylmethyl)-butanoate 5-Ethyl 1-methyl 2-[(diphenylmethylene)amino]-3-{[(4-methylphenyl)sulfonyl]methyl}pentanedioate
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Formula C29H31NO6S
InChI InChI=1S/C29H31NO6S/c1-4-36-26(31)19-24(20-37(33,34)25-17-15-21(2)16-18-25)28(29(32)35-3)30-27(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,24,28H,4,19-20H2,1-3H3
InChIKey FMJDGLMWEPBZLH-UHFFFAOYSA-N
Molecular Weight 521.628 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(N=C(c1ccccc1)c1ccccc1)C(=O)OC)CC(=O)OCC
SPLASH splash10-014l-9850100000-abba8f0df802a624b10a
Source of Spectrum F-52-15255-16
Wiley ID 799679