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5-(4-Ethoxybenzoyl)-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclopentane]-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'-cyclopentane]-3-carboxylic acid ethyl ester
SpectraBase Compound ID BhyHVMoDoW8
InChI InChI=1S/C20H24N4O4S/c1-3-27-14-9-7-13(8-10-14)16(25)17-20(11-5-6-12-20)22-24-18(29-17)15(21-23-24)19(26)28-4-2/h7-10,17,22H,3-6,11-12H2,1-2H3
InChIKey SYYLNCKOYXLYLU-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 JZpPI7010We
Name 5-(4-Ethoxybenzoyl)-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclopentane]-3-carboxylic acid ethyl ester
Appearance Light purple powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N4O4S
InChI InChI=1S/C20H24N4O4S/c1-3-27-14-9-7-13(8-10-14)16(25)17-20(11-5-6-12-20)22-24-18(29-17)15(21-23-24)19(26)28-4-2/h7-10,17,22H,3-6,11-12H2,1-2H3
InChIKey SYYLNCKOYXLYLU-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(C11CCCC1)C(c1ccc(cc1)OCC)=O)C(=O)OCC
SPLASH splash10-0002-1911000000-03d1790da2f87113f719
Source of Spectrum Y-54-145-9d
Wiley ID 1877788