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Isothiocyanic acid, benzyl ester
SpectraBase Compound ID 9jITZM8HycG
InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItEfKauhnYg
Name (Isothiocyanatomethyl)benzene
CAS Registry Number 622-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N
Molecular Weight 149.211 g/mol
SMILES C(N=C=S)c1ccccc1
SPLASH splash10-0006-9300000000-e5a13f18382bb9c70559
Source of Spectrum CJ-0-8-3403
Synonyms Benzene, (isothiocyanatomethyl)- Benzyl isothiocyanate Benzyl mustard oil Benzylsenfoel Isothiocyanatomethylbenzene Isothiocyanic acid, benzyl ester Toluene, .alpha.-isothiocyanato- Tromacaps Tromalyt Urogran AB 2 AI3-02736 BRN 0386135 CCRIS 3145 EINECS 210-753-9 NSC 118976
Wiley ID 1146211