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(6S,7aR)-5-keto-6-[(2-phenoxyacetyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid methyl ester
SpectraBase Compound ID 1sYRCQxWbi9
InChI InChI=1S/C16H16N2O5S/c1-22-16(21)12-9-24-14-7-11(15(20)18(12)14)17-13(19)8-23-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3,(H,17,19)/t11-,14+/m0/s1
InChIKey QLFMYFYOJPPKKY-SMDDNHRTSA-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 1ackf6X2UEq
Name (6S,7aR)-5-keto-6-[(2-phenoxyacetyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid methyl ester
Alternate Name(s) (6S,7aR)-5-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylic acid methyl ester Methyl (6S,7aR)-5-oxidanylidene-6-(2-phenoxyethanoylamino)-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate Methyl (6S,7aR)-5-oxo-6-[(2-phenoxyacetyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b]thiazole-3-carboxylate Methyl (6S,7aR)-5-oxo-6-[(2-phenoxyacetyl)amino]-7,7a-dihydro-6H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CAS Registry Number 109317-15-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5S
InChI InChI=1S/C16H16N2O5S/c1-22-16(21)12-9-24-14-7-11(15(20)18(12)14)17-13(19)8-23-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3,(H,17,19)/t11-,14+/m0/s1
InChIKey QLFMYFYOJPPKKY-SMDDNHRTSA-N
Molecular Weight 348.373 g/mol
SMILES N([C@@]1(C(N2C(=CS[C@@]2(C1)[H])C(=O)OC)=O)[H])C(=O)COc1ccccc1
SPLASH splash10-054o-5901000000-cbecb5a3080661d06a42
Source of Spectrum F-45-4547-26
Wiley ID 1340380