Orbencarb

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Systematic / IUPAC Name: S-[(2-chlorophenyl)methyl] N,N-diethylcarbamothioate

ID: Reference79

Other Names: Carbamic acid, diethylthio, S-(o-chlorobenzyl) ester;
S-(2-Chlorobenzyl) N,N-diethylthiocarbamate;
Diethylthiocarbamic acid S-(o-chlorobenzyl) ester;
Carbamothioic acid, diethyl, S-((2-chlorophenyl)methyl) ester;
S-(2-Chlorobenzyl) diethylcarbamothioate ; more

Formula: C12H16ClNOS

Class: Pesticides/Herbicides

Spectral Data

Orbencarb mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 82
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/18/2015 12:36:29 PM
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Identificators

InChI InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3
InChI Key LLLFASISUZUJEQ-UHFFFAOYSA-N
Canonical SMILES CCN(CC)C(=O)SCC1=CC=CC=C1Cl
CAS 34622587
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Other Names Carbamic acid, diethylthio, S-(o-chlorobenzyl) ester;
S-(2-Chlorobenzyl) N,N-diethylthiocarbamate;
Diethylthiocarbamic acid S-(o-chlorobenzyl) ester;
Carbamothioic acid, diethyl, S-((2-chlorophenyl)methyl) ester;
S-(2-Chlorobenzyl) diethylcarbamothioate;
Lanray;
Orthobencarb

In Other Databases

ChemIDPlus 034622587
PubChem 36867
KEGG C11087
ChemSpider 33829