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4-METHOXYCARBONYLPHENYLISOTHIOCYANAT
SpectraBase Compound ID 6ElNI7xLvu
InChI InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3
InChIKey WIZODHILGBTPPA-UHFFFAOYSA-N
Mol Weight 193.22 g/mol
Molecular Formula C9H7NO2S
Exact Mass 193.01975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcCAkRZlOPv
Name 4-Methoxycarbonylphenyl isothiocyanate
CAS Registry Number 3662-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2S
InChI InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3
InChIKey WIZODHILGBTPPA-UHFFFAOYSA-N
Molecular Weight 193.220 g/mol
SMILES COC(=O)c1ccc(N=C=S)cc1
SPLASH splash10-03dl-8900000000-a7471e03cfca9337c23a
Source of Spectrum JX-2015-5-314
Synonyms Methyl 4-isothiocyanatobenzoate
Wiley ID 1727158