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1,4-Thiazepine-3-carboxylic acid, 6-(2-furanylmethoxy)-2,3,4,7-tetrahydro-2,2-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester

View entire compound with spectra: 1 MS (GC)

1,4-Thiazepine-3-carboxylic acid, 6-(2-furanylmethoxy)-2,3,4,7-tetrahydro-2,2-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester
SpectraBase Compound ID 6YvNys3onvH
InChI InChI=1S/C19H25NO7S/c1-18(2,3)17(23)27-11-26-15(21)14-19(4,5)28-16(22)13(9-20-14)25-10-12-7-6-8-24-12/h6-9,14,20H,10-11H2,1-5H3
InChIKey MABAZBCVEMUGOF-UHFFFAOYSA-N
Mol Weight 411.47 g/mol
Molecular Formula C19H25NO7S
Exact Mass 411.135173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzxkxQH9ejD
Name 1,4-Thiazepine-3-carboxylic acid, 6-(2-furanylmethoxy)-2,3,4,7-tetrahydro-2,2-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester
CAS Registry Number 128227-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO7S
InChI InChI=1S/C19H25NO7S/c1-18(2,3)17(23)27-11-26-15(21)14-19(4,5)28-16(22)13(9-20-14)25-10-12-7-6-8-24-12/h6-9,14,20H,10-11H2,1-5H3
InChIKey MABAZBCVEMUGOF-UHFFFAOYSA-N
Molecular Weight 411.469 g/mol
SMILES N1C=C(C(SC(C1C(OCOC(C(C)(C)C)=O)=O)(C)C)=O)OCc1occc1
SPLASH splash10-0002-5940000000-4b47e5459be6c4f9740a
Source of Spectrum KC-1990-94-6
Synonyms 6-Furfuryloxy-2,2-dimethyl-3-[(pivaloyloxy)methoxy-carbonyl]-2,3-dihydro-1,4-thiazepin-7(4H)-one [(2,2-dimethylpropanoyl)oxy]methyl 6-(2-furylmethoxy)-2,2-dimethyl-7-oxo-2,3,4,7-tetrahydro-1,4-thiazepine-3-carboxylate
Wiley ID 1374036