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5-(4-Methoxybenzoyl)-[5,7-dihydrospiro[[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclohexane-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

5-(4-Methoxybenzoyl)-[5,7-dihydrospiro[[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclohexane-3-carboxylic acid ethyl ester
SpectraBase Compound ID 1P3XSVJqaT3
InChI InChI=1S/C20H24N4O4S/c1-3-28-19(26)15-18-24(23-21-15)22-20(11-5-4-6-12-20)17(29-18)16(25)13-7-9-14(27-2)10-8-13/h7-10,17,22H,3-6,11-12H2,1-2H3
InChIKey AIFUQXBAVVPKBB-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C20H24N4O4S
Exact Mass 416.151826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L92sK16D99w
Name 5-(4-Methoxybenzoyl)-[5,7-dihydrospiro[[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclohexane-3-carboxylic acid ethyl ester
Appearance White powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N4O4S
InChI InChI=1S/C20H24N4O4S/c1-3-28-19(26)15-18-24(23-21-15)22-20(11-5-4-6-12-20)17(29-18)16(25)13-7-9-14(27-2)10-8-13/h7-10,17,22H,3-6,11-12H2,1-2H3
InChIKey AIFUQXBAVVPKBB-UHFFFAOYSA-N
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2554
Molecular Weight 416.496 g/mol
SMILES N1[n]2nnc(c2SC(C11CCCCC1)C(c1ccc(cc1)OC)=O)C(=O)OCC
SPLASH splash10-000i-4900000000-3174307699a9e57765a8
Source of Spectrum Y-54-145-9g
Wiley ID 1877791