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3-(methylsulfanyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole

View entire compound with spectra: 1 MS (GC)

3-(methylsulfanyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole
SpectraBase Compound ID IS7LvlMhHRH
InChI InChI=1S/C8H11NOS/c1-11-8-6-4-2-3-5-7(6)9-10-8/h2-5H2,1H3
InChIKey NKJSOALKVVKODE-UHFFFAOYSA-N
Mol Weight 169.24 g/mol
Molecular Formula C8H11NOS
Exact Mass 169.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuFw659eg09
Name 3-(methylsulfanyl)-4,5,6,7-tetrahydro-2,1-benzisoxazole
CAS Registry Number 118631-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NOS
InChI InChI=1S/C8H11NOS/c1-11-8-6-4-2-3-5-7(6)9-10-8/h2-5H2,1H3
InChIKey NKJSOALKVVKODE-UHFFFAOYSA-N
Molecular Weight 169.242 g/mol
SMILES c12c(onc2CCCC1)SC
SPLASH splash10-00lr-7900000000-f57fe97c3d8b9cec189d
Source of Spectrum J-54-1091-9
Synonyms 3-(methylthio)-4,5,6,7-tetrahydro-2,1-benzoxazole 3-(methylthio)-4,5,6,7-tetrahydroanthranil 3-Methylsulfanyl-4,5,6,7-tetrahydro-2,1-benzoxazole
Wiley ID 1165683