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isothiocyanic acid, phenethyl ester
SpectraBase Compound ID 9dFv9PLIXJ2
InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
Mol Weight 163.24 g/mol
Molecular Formula C9H9NS
Exact Mass 163.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzhBJHPc5Yj
Name (2-Isothiocyanatoethyl)benzene
Alternate Name(s) Phenethylisothiocyanate .beta.-Phenethyl isothiocyanate .beta.-Phenylethyl isothiocyanate 2-Isothiocyanatoethylbenzene 2-Phenylethyl isothiocyanate Benzene, (2-isothiocyanatoethyl)- Isothiocyanic acid .beta.-phenylethyl ester Isothiocyanic acid, phenethyl ester Phenethyl isothiocyanate Phenethyl mustard oil Phenylaethylsenfoel Phenylethyl isothiocyanate Phenylethyl mustard oil BRN 2084162 CCRIS 3146 EINECS 218-855-5 NSC 87868
CAS Registry Number 2257-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NS
InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
Molecular Weight 163.238 g/mol
SMILES C(N=C=S)Cc1ccccc1
SPLASH splash10-0006-9200000000-b2754d0f26f9608b4366
Source of Spectrum W-0-845-25
Wiley ID 754231