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N-(4-cyanophenyl)carbamothioic acid O-propyl ester
SpectraBase Compound ID 2wD5ZRet2id
InChI InChI=1S/C11H12N2OS/c1-2-7-14-11(15)13-10-5-3-9(8-12)4-6-10/h3-6H,2,7H2,1H3,(H,13,15)
InChIKey ABADGQNCIZXRAF-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C11H12N2OS
Exact Mass 220.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpbnamC12c5
Name N-(4-cyanophenyl)carbamothioic acid O-propyl ester
Alternate Name(s) N-(4-cyanophenyl)thiocarbamic acid O-propyl ester O-propyl N-(4-cyanophenyl)carbamothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2OS
InChI InChI=1S/C11H12N2OS/c1-2-7-14-11(15)13-10-5-3-9(8-12)4-6-10/h3-6H,2,7H2,1H3,(H,13,15)
InChIKey ABADGQNCIZXRAF-UHFFFAOYSA-N
Molecular Weight 220.290 g/mol
SMILES N(C(=S)OCCC)c1ccc(C#N)cc1
SPLASH splash10-02vj-0910000000-39d0dd07a09812ee6833
Source of Spectrum F-54-6483-16
Wiley ID 807404