For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

[13C12]-methyl triclosan

View entire compound with spectra: 1 MS (GC)

[13C12]-methyl triclosan
SpectraBase Compound ID 2XgvRaB5LOa
InChI InChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1
InChIKey NLYDHBBTVWMLFD-GEAPNVOISA-N
Mol Weight 315.48 g/mol
Molecular Formula C13C12H9Cl3O2
Exact Mass 314.007071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DesUm7pRWou
Name [13C12]-methyl triclosan
Carrier Gas Helium (1.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.007070648 u
Formula C[13C]12H9Cl3O2
GC Column ZB-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C13H9Cl3O2/c1-17-13-7-9(15)3-5-12(13)18-11-4-2-8(14)6-10(11)16/h2-7H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1
InChIKey NLYDHBBTVWMLFD-GEAPNVOISA-N
Inlet Type Splitless
Instrument Name Agilent 6890-HP 5973N
Ionization Type EI
Literature Reference DOI 10.1002/jssc.201000284
Molecular Weight 315.480 g/mol
SMILES [13CH]=1[13C](=[13CH][13CH]=[13C](O[13C]2=[13C]([13CH]=[13C]([13CH]=[13CH]2)Cl)Cl)[13C]1OC)Cl
SPLASH splash10-03xr-0049000000-7c8dbddbed9aacef655e
Source of Spectrum SEP-33-2770-13C12-MTCS (DOI: 10.1002/jssc.201000284)
Wiley ID 1907995