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Methyl threo-5-[(Benzylamino)methyl]-3-methyl-4-tosyl-5-hexenoate
SpectraBase Compound ID JmgNs69SWA5
InChI InChI=1S/C23H29NO4S/c1-17-10-12-21(13-11-17)29(26,27)23(18(2)14-22(25)28-4)19(3)15-24-16-20-8-6-5-7-9-20/h5-13,18,23-24H,3,14-16H2,1-2,4H3
InChIKey WSEHGFSLSIPHNJ-UHFFFAOYSA-N
Mol Weight 415.55 g/mol
Molecular Formula C23H29NO4S
Exact Mass 415.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0e217oGxdS
Name Methyl threo-5-[(Benzylamino)methyl]-3-methyl-4-tosyl-5-hexenoate
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Formula C23H29NO4S
InChI InChI=1S/C23H29NO4S/c1-17-10-12-21(13-11-17)29(26,27)23(18(2)14-22(25)28-4)19(3)15-24-16-20-8-6-5-7-9-20/h5-13,18,23-24H,3,14-16H2,1-2,4H3
InChIKey WSEHGFSLSIPHNJ-UHFFFAOYSA-N
Molecular Weight 415.548 g/mol
SMILES N(CC(C(S(c1ccc(cc1)C)(=O)=O)C(CC(=O)OC)C)=C)Cc1ccccc1
SPLASH splash10-0006-9210000000-46cc849a052c67f5c435
Source of Spectrum J-61-5010-11
Synonyms Methyl erythro-5-[(Benzylamino)methyl]-3-methyl-4-tosyl-5-hexenoate Methyl 5-[(benzylamino)methyl]-3-methyl-4-[(4-methylphenyl)sulfonyl]-5-hexenoate
Wiley ID 1375996