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Methyl 5-oxo-6-(2'-phenylacetylamino)-perhydro-1,4-thiazepine-3-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 5-oxo-6-(2'-phenylacetylamino)-perhydro-1,4-thiazepine-3-carboxylate
SpectraBase Compound ID IhSG1yHgN9Z
InChI InChI=1S/C15H18N2O4S/c1-21-15(20)12-9-22-8-11(14(19)17-12)16-13(18)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKey ASIFKPYKGZFNGB-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C15H18N2O4S
Exact Mass 322.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZwkhqPWAhl
Name Methyl 5-oxo-6-(2'-phenylacetylamino)-perhydro-1,4-thiazepine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O4S
InChI InChI=1S/C15H18N2O4S/c1-21-15(20)12-9-22-8-11(14(19)17-12)16-13(18)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKey ASIFKPYKGZFNGB-UHFFFAOYSA-N
Molecular Weight 322.379 g/mol
SMILES N1C(C(CSCC1C(=O)OC)NC(=O)Cc1ccccc1)=O
SPLASH splash10-0006-9301000000-a7b2e65554d3f70a30de
Source of Spectrum U-1997-1715-6
Synonyms Methyl 5-oxo-6-[(phenylacetyl)amino]hexahydro-1,4-thiazepine-3-carboxylate
Wiley ID 770094