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2-Thiophenecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]t etrahydro-3-oxo-, ethyl ester, trans-(.+-.)-
SpectraBase Compound ID Fhl5eiHlWI0
InChI InChI=1S/C12H19NO5S/c1-5-17-10(15)9-8(14)7(6-19-9)13-11(16)18-12(2,3)4/h7,9H,5-6H2,1-4H3,(H,13,16)/t7-,9-/m1/s1
InChIKey WFYJBVAZLUHLOO-VXNVDRBHSA-N
Mol Weight 289.35 g/mol
Molecular Formula C12H19NO5S
Exact Mass 289.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hln0TrS36ho
Name 2-Thiophenecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]t etrahydro-3-oxo-, ethyl ester, trans-(.+-.)-
CAS Registry Number 96846-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO5S
InChI InChI=1S/C12H19NO5S/c1-5-17-10(15)9-8(14)7(6-19-9)13-11(16)18-12(2,3)4/h7,9H,5-6H2,1-4H3,(H,13,16)/t7-,9-/m1/s1
InChIKey WFYJBVAZLUHLOO-VXNVDRBHSA-N
Molecular Weight 289.346 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]1(C([C@@](SC1)(C(=O)OCC)[H])=O)[H]
SPLASH splash10-0a4i-9000000000-cd2d7e931e75f3edd76f
Source of Spectrum J-50-2733-0
Synonyms (R,S)-ethyl 4-[(t-butoxycarbonyl)amino]tetrahydro-3-oxo-2-thiophenecarboxylate Ethyl 2,5-anhydro-4-[(tert-butoxycarbonyl)amino]-4-deoxy-2-thio-D-erythro-pent-3-ulosonate
Wiley ID 1292438