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5-(4-Ethoxybenzoyl)-[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-Ethoxybenzoyl)-[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 HMqxeb0g57m
InChI InChI=1S/C21H26N4O4S/c1-3-28-15-10-8-14(9-11-15)17(26)18-21(12-6-5-7-13-21)23-25-19(30-18)16(22-24-25)20(27)29-4-2/h8-11,18,23H,3-7,12-13H2,1-2H3
InChIKey NCWGMYIHFRFJGC-UHFFFAOYSA-N
Mol Weight 430.52 g/mol
Molecular Formula C21H26N4O4S
Exact Mass 430.167477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4PVT4yGpiC
Name 5-(4-Ethoxybenzoyl)-[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 C21H26N4O4S
InChI InChI=1S/C21H26N4O4S/c1-3-28-15-10-8-14(9-11-15)17(26)18-21(12-6-5-7-13-21)23-25-19(30-18)16(22-24-25)20(27)29-4-2/h8-11,18,23H,3-7,12-13H2,1-2H3
InChIKey NCWGMYIHFRFJGC-UHFFFAOYSA-N
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2554
Molecular Weight 430.523 g/mol
SMILES N1[n]2nnc(c2SC(C11CCCCC1)C(c1ccc(cc1)OCC)=O)C(=O)OCC
SPLASH splash10-0002-2900000000-f86259ff2c6cfc94a541
Source of Spectrum Y-54-146-9h
Wiley ID 1877792