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1-Azetidineacetic acid, 2-(butylthio)-.alpha.-(1-methoxy-3-oxopropylidene)-4-oxo-, (4-nitrophenyl)methyl ester, (E)-
SpectraBase Compound ID GKq1ZMCTR9E
InChI InChI=1S/C20H24N2O7S/c1-3-4-11-30-18-12-17(24)21(18)19(16(28-2)9-10-23)20(25)29-13-14-5-7-15(8-6-14)22(26)27/h5-8,10,18H,3-4,9,11-13H2,1-2H3/b19-16+
InChIKey QKFUXPINSNBYPV-KNTRCKAVSA-N
Mol Weight 436.48 g/mol
Molecular Formula C20H24N2O7S
Exact Mass 436.130422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CydHRwmarKP
Name 1-Azetidineacetic acid, 2-(butylthio)-.alpha.-(1-methoxy-3-oxopropylidene)-4-oxo-, (4-nitrophenyl)methyl ester, (E)-
CAS Registry Number 85784-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O7S
InChI InChI=1S/C20H24N2O7S/c1-3-4-11-30-18-12-17(24)21(18)19(16(28-2)9-10-23)20(25)29-13-14-5-7-15(8-6-14)22(26)27/h5-8,10,18H,3-4,9,11-13H2,1-2H3/b19-16+
InChIKey QKFUXPINSNBYPV-KNTRCKAVSA-N
Molecular Weight 436.479 g/mol
SMILES C(\C(N1C(=O)CC1SCCCC)=C\(CC=O)OC)(OCc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-014r-0901000000-cb5885d8baf5e637ed1f
Source of Spectrum KC-1983-119-0
Synonyms 4-Nitrobenzyl (2E)-2-[2-(butylsulfanyl)-4-oxo-1-azetidinyl]-3-methoxy-5-oxo-2-pentenoate 4-Nitrobenzyl 2-(4-butylthio-2-oxoazetidin-1-yl)-3-methoxy-5-oxopent-3-enoate
Wiley ID 1383402