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Glycine, N-[(4,5-dihydro-7-methyl-2-phenyl-1,3,6-oxathiazepin-5-yl)carbonyl]-, ethyl ester
SpectraBase Compound ID 8Yd01K6IPUA
InChI InChI=1S/C16H20N2O4S/c1-3-21-14(19)9-17-15(20)13-10-23-16(22-11(2)18-13)12-7-5-4-6-8-12/h4-8,13,16H,3,9-10H2,1-2H3,(H,17,20)
InChIKey ALDKBUVMKMQWKT-UHFFFAOYSA-N
Mol Weight 336.41 g/mol
Molecular Formula C16H20N2O4S
Exact Mass 336.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7YF92aopf5
Name Glycine, N-[(4,5-dihydro-7-methyl-2-phenyl-1,3,6-oxathiazepin-5-yl)carbonyl]-, ethyl ester
CAS Registry Number 72286-35-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O4S
InChI InChI=1S/C16H20N2O4S/c1-3-21-14(19)9-17-15(20)13-10-23-16(22-11(2)18-13)12-7-5-4-6-8-12/h4-8,13,16H,3,9-10H2,1-2H3,(H,17,20)
InChIKey ALDKBUVMKMQWKT-UHFFFAOYSA-N
Molecular Weight 336.406 g/mol
SMILES N(C(C1N=C(OC(c2ccccc2)SC1)C)=O)CC(=O)OCC
SPLASH splash10-03fr-0900000000-5e1cbdf25acee303c0bf
Source of Spectrum I-57-2423-0
Synonyms 1,3,6-Oxathiazepine, glycine deriv. 2-Phenyl-4,5-dihydro-5-carbethoxyaminocarbonyl-7-methyl-1,3,6-oxathiazepine Ethyl {[(7-methyl-2-phenyl-4,5-dihydro-1,3,6-oxathiazepin-5-yl)carbonyl]amino}acetate
Wiley ID 1332170