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1H-1,2,4-Triazole-1-methanol, .alpha.-ethyl-.alpha.-methyl-3-(methylthio)-, acetate (ester)
SpectraBase Compound ID AORx6N3gbmb
InChI InChI=1S/C9H15N3O2S/c1-5-9(3,14-7(2)13)12-6-10-8(11-12)15-4/h6H,5H2,1-4H3
InChIKey GUAAJFMECBREPS-UHFFFAOYSA-N
Mol Weight 229.3 g/mol
Molecular Formula C9H15N3O2S
Exact Mass 229.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWb7X3AIUDF
Name 1H-1,2,4-Triazole-1-methanol, .alpha.-ethyl-.alpha.-methyl-3-(methylthio)-, acetate (ester)
CAS Registry Number 112390-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15N3O2S
InChI InChI=1S/C9H15N3O2S/c1-5-9(3,14-7(2)13)12-6-10-8(11-12)15-4/h6H,5H2,1-4H3
InChIKey GUAAJFMECBREPS-UHFFFAOYSA-N
Molecular Weight 229.298 g/mol
SMILES c1(n[n](cn1)C(OC(=O)C)(CC)C)SC
SPLASH splash10-014i-0910000000-e4d64bfc1034b5631f72
Source of Spectrum KC-1987-1571-7
Synonyms 1-Methyl-1-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]propyl acetate
Wiley ID 1230517