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5-[(3,4-dimethylphenoxy)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-[(3,4-dimethylphenoxy)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID EG3xHwTyBms
InChI InChI=1S/C20H28N4O3S/c1-15-4-5-17(12-16(15)2)25-13-18-21-24(19(28)22(18)3)14-23-8-6-20(7-9-23)26-10-11-27-20/h4-5,12H,6-11,13-14H2,1-3H3
InChIKey ZOUZOGOUNLSFQY-UHFFFAOYSA-N
Mol Weight 404.53 g/mol
Molecular Formula C20H28N4O3S
Exact Mass 404.188212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUU8qN5kgSt
Name 5-[(3,4-dimethylphenoxy)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N4O3S
InChI InChI=1S/C20H28N4O3S/c1-15-4-5-17(12-16(15)2)25-13-18-21-24(19(28)22(18)3)14-23-8-6-20(7-9-23)26-10-11-27-20/h4-5,12H,6-11,13-14H2,1-3H3
InChIKey ZOUZOGOUNLSFQY-UHFFFAOYSA-N
Molecular Weight 404.529 g/mol
SMILES Cc1ccc(cc1C)OCC1=NN(C(N1C)=S)CN1CCC2(CC1)OCCO2
SPLASH splash10-0a4i-5900000000-b5835dd8179c55c904fd
Synonyms 5-[(3,4-dimethylphenoxy)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-methyl-1,2,4-triazole-3-thione
Wiley ID 1447026