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Glycine, N-[(4,5-dihydro-2,7-diphenyl-1,3,6-oxathiazepin-5-yl)carbonyl]-, ethyl ester
SpectraBase Compound ID 4GNzUwRp5PI
InChI InChI=1S/C21H22N2O4S/c1-2-26-18(24)13-22-19(25)17-14-28-21(16-11-7-4-8-12-16)27-20(23-17)15-9-5-3-6-10-15/h3-12,17,21H,2,13-14H2,1H3,(H,22,25)
InChIKey QGAYDKGVIRERNO-UHFFFAOYSA-N
Mol Weight 398.48 g/mol
Molecular Formula C21H22N2O4S
Exact Mass 398.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3ZdZsd3JcG
Name Glycine, N-[(4,5-dihydro-2,7-diphenyl-1,3,6-oxathiazepin-5-yl)carbonyl]-, ethyl ester
CAS Registry Number 72286-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4S
InChI InChI=1S/C21H22N2O4S/c1-2-26-18(24)13-22-19(25)17-14-28-21(16-11-7-4-8-12-16)27-20(23-17)15-9-5-3-6-10-15/h3-12,17,21H,2,13-14H2,1H3,(H,22,25)
InChIKey QGAYDKGVIRERNO-UHFFFAOYSA-N
Molecular Weight 398.477 g/mol
SMILES N(C(C1N=C(OC(c2ccccc2)SC1)c1ccccc1)=O)CC(=O)OCC
SPLASH splash10-0006-0390000000-97fbb5e0e4bfff46866d
Source of Spectrum I-57-2423-0
Synonyms 1,3,6-Oxathiazepine, glycine deriv. 2,7-Diphenyl-4,5-dihydro-5-carbethoxyaminocarbonyl-1,3,6-oxathiazepine Ethyl {[(2,7-diphenyl-4,5-dihydro-1,3,6-oxathiazepin-5-yl)carbonyl]amino}acetate
Wiley ID 1368354