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1H-1,2,4-Triazole-1-methanol, .alpha.,.alpha.-diethyl-3-(methylthio)-, acetate (ester)

View entire compound with spectra: 1 MS (GC)

1H-1,2,4-Triazole-1-methanol, .alpha.,.alpha.-diethyl-3-(methylthio)-, acetate (ester)
SpectraBase Compound ID 6i30Rxgmjk3
InChI InChI=1S/C10H17N3O2S/c1-5-10(6-2,15-8(3)14)13-7-11-9(12-13)16-4/h7H,5-6H2,1-4H3
InChIKey MLFFZRWTELILFJ-UHFFFAOYSA-N
Mol Weight 243.32 g/mol
Molecular Formula C10H17N3O2S
Exact Mass 243.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mJgM3AMAnW
Name 1H-1,2,4-Triazole-1-methanol, .alpha.,.alpha.-diethyl-3-(methylthio)-, acetate (ester)
Alternate Name(s) 1-Ethyl-1-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]propyl acetate
CAS Registry Number 112418-05-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17N3O2S
InChI InChI=1S/C10H17N3O2S/c1-5-10(6-2,15-8(3)14)13-7-11-9(12-13)16-4/h7H,5-6H2,1-4H3
InChIKey MLFFZRWTELILFJ-UHFFFAOYSA-N
Molecular Weight 243.325 g/mol
SMILES c1(n[n](cn1)C(OC(=O)C)(CC)CC)SC
SPLASH splash10-014i-0910000000-f20c2d890a1293b37a82
Source of Spectrum KC-1987-1571-7
Wiley ID 1245862