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1,4-Thiazepane-3-carboxylic acid, 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-, methyl ester

View entire compound with spectra: 2 MS (GC)

1,4-Thiazepane-3-carboxylic acid, 2,2-dimethyl-5-oxo-6-[(2-phenylacetyl)amino]-, methyl ester
SpectraBase Compound ID 7FgOPpQDJEL
InChI InChI=1S/C17H22N2O4S/c1-17(2)14(16(22)23-3)19-15(21)12(10-24-17)18-13(20)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKey BFWUQXLUBXOGTD-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF4vUvw5tLw
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22N2O4S
InChI InChI=1S/C17H22N2O4S/c1-17(2)14(16(22)23-3)19-15(21)12(10-24-17)18-13(20)9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKey BFWUQXLUBXOGTD-UHFFFAOYSA-N
Molecular Weight 350.1295
SMILES N1C(C(NC(Cc2ccccc2)=O)CSC(C)(C)C1C(OC)=O)=O
SPLASH splash10-014l-7921000000-0c712dc07f7c1fc0b13b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany