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(5S)-(4-Methoxybenzoyl)-6,6-dimethyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(5S)-(4-Methoxybenzoyl)-6,6-dimethyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 9gfvOzPdugb
InChI InChI=1S/C17H20N4O4S/c1-5-25-16(23)12-15-21(20-18-12)19-17(2,3)14(26-15)13(22)10-6-8-11(24-4)9-7-10/h6-9,14,19H,5H2,1-4H3/t14-/m1/s1
InChIKey CJFVTZJRFDFQKZ-CQSZACIVSA-N
Mol Weight 376.43 g/mol
Molecular Formula C17H20N4O4S
Exact Mass 376.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6D6rmHDRQ46
Name (5S)-(4-Methoxybenzoyl)-6,6-dimethyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O4S
InChI InChI=1S/C17H20N4O4S/c1-5-25-16(23)12-15-21(20-18-12)19-17(2,3)14(26-15)13(22)10-6-8-11(24-4)9-7-10/h6-9,14,19H,5H2,1-4H3/t14-/m1/s1
InChIKey CJFVTZJRFDFQKZ-CQSZACIVSA-N
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2554
Molecular Weight 376.431 g/mol
SMILES N1[n]2c(S[C@@](C1(C)C)(C(c1ccc(cc1)OC)=O)[H])c(nn2)C(=O)OCC
SPLASH splash10-000i-4900000000-21c3f1616f3cbbb4814b
Source of Spectrum Y-54-144-8k
Wiley ID 1877783