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(6S,7aR)-5-oxo-6-(phenylmethoxycarbonylamino)-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid methyl ester
SpectraBase Compound ID CFqxbMD7vno
InChI InChI=1S/C16H16N2O5S/c1-22-15(20)12-9-24-13-7-11(14(19)18(12)13)17-16(21)23-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,17,21)/t11-,13+/m0/s1
InChIKey DWJDSPWSNKCQQF-WCQYABFASA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dW2V04Lef2
Name (6S,7aR)-5-oxo-6-(phenylmethoxycarbonylamino)-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid methyl ester
CAS Registry Number 109317-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c1-22-15(20)12-9-24-13-7-11(14(19)18(12)13)17-16(21)23-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,17,21)/t11-,13+/m0/s1
InChIKey DWJDSPWSNKCQQF-WCQYABFASA-N
Molecular Weight 348.373 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]1(C(N2C(=CS[C@@]2(C1)[H])C(=O)OC)=O)[H]
SPLASH splash10-0006-9020000000-1daf93556741ed86e34a
Source of Spectrum F-45-4545-20
Synonyms (6S,7aR)-6-(benzyloxycarbonylamino)-5-keto-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid methyl ester Methyl (6S,7aR)-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate Methyl (6S,7aR)-5-oxo-6-(phenylmethoxycarbonylamino)-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate Methyl (6S,7aR)-6-(benzyloxycarbonylamino)-5-oxo-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylate
Wiley ID 1340379