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2-Propenoic acid, 3-[[[2,5-dihydro-5-oxo-4-[(phenoxycarbonyl)amino]-3-furanyl]methyl]th io]-, (E)-
SpectraBase Compound ID 5qot5W9axyT
InChI InChI=1S/C15H13NO6S/c17-12(18)6-7-23-9-10-8-21-14(19)13(10)16-15(20)22-11-4-2-1-3-5-11/h1-7H,8-9H2,(H,16,20)(H,17,18)/b7-6+
InChIKey BTKPWJCNPDNXMS-VOTSOKGWSA-N
Mol Weight 335.33 g/mol
Molecular Formula C15H13NO6S
Exact Mass 335.046358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B666vyWnGCS
Name 2-Propenoic acid, 3-[[[2,5-dihydro-5-oxo-4-[(phenoxycarbonyl)amino]-3-furanyl]methyl]th io]-, (E)-
CAS Registry Number 61485-37-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO6S
InChI InChI=1S/C15H13NO6S/c17-12(18)6-7-23-9-10-8-21-14(19)13(10)16-15(20)22-11-4-2-1-3-5-11/h1-7H,8-9H2,(H,16,20)(H,17,18)/b7-6+
InChIKey BTKPWJCNPDNXMS-VOTSOKGWSA-N
Molecular Weight 335.330 g/mol
SMILES OC(\C=C\SCC1=C(C(OC1)=O)NC(Oc1ccccc1)=O)=O
SPLASH splash10-000f-9600000000-4586729c6573f91a3406
Source of Spectrum H-59-1994-8
Synonyms (2E)-3-[({5-oxo-4-[(phenoxycarbonyl)amino]-2,5-dihydro-3-furanyl}methyl)sulfanyl]-2-propenoic acid trans-3-phenycarbonylamino-4-(b-carboxy-vinylthio)methyl-2(5H)-furanone
Wiley ID 1331557