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1H-1,2,4-Triazole-1-methanol, .alpha.,.alpha.-dimethyl-3-(methylthio)-, acetate (ester)
SpectraBase Compound ID 6ZULSdCa5Mx
InChI InChI=1S/C8H13N3O2S/c1-6(12)13-8(2,3)11-5-9-7(10-11)14-4/h5H,1-4H3
InChIKey NDUUWVORJMAVET-UHFFFAOYSA-N
Mol Weight 215.27 g/mol
Molecular Formula C8H13N3O2S
Exact Mass 215.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITQRyVOJi4k
Name 1H-1,2,4-Triazole-1-methanol, .alpha.,.alpha.-dimethyl-3-(methylthio)-, acetate (ester)
CAS Registry Number 112390-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N3O2S
InChI InChI=1S/C8H13N3O2S/c1-6(12)13-8(2,3)11-5-9-7(10-11)14-4/h5H,1-4H3
InChIKey NDUUWVORJMAVET-UHFFFAOYSA-N
Molecular Weight 215.271 g/mol
SMILES c1(n[n](cn1)C(OC(=O)C)(C)C)SC
SPLASH splash10-014i-0910000000-ca3aa7d1c9e834ee65ab
Source of Spectrum KC-1987-1571-7
Synonyms 1-Methyl-1-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]ethyl acetate 2-(3-Methylthio-1H-1,2,4-triazol-1-yl)propan-2-yl acetate
Wiley ID 1214342