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5-(4-Methylbenzoyl)-[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 KHGv6cC1tfA
InChI InChI=1S/C19H22N4O3S/c1-3-26-18(25)14-17-23(22-20-14)21-19(10-4-5-11-19)16(27-17)15(24)13-8-6-12(2)7-9-13/h6-9,16,21H,3-5,10-11H2,1-2H3
InChIKey YMUSCKYDDNUQPF-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C19H22N4O3S
Exact Mass 386.141262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALnJojho9bP
Name 5-(4-Methylbenzoyl)-[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 © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N4O3S
InChI InChI=1S/C19H22N4O3S/c1-3-26-18(25)14-17-23(22-20-14)21-19(10-4-5-11-19)16(27-17)15(24)13-8-6-12(2)7-9-13/h6-9,16,21H,3-5,10-11H2,1-2H3
InChIKey YMUSCKYDDNUQPF-UHFFFAOYSA-N
Instrument Name GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2554
Molecular Weight 386.470 g/mol
SMILES N1[n]2nnc(c2SC(C11CCCC1)C(c1ccc(cc1)C)=O)C(=O)OCC
SPLASH splash10-014i-7901000000-8202d785a60100d06621
Source of Spectrum Y-54-144-9b
Wiley ID 1877786