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4-(4-Chloro-o-tolyloxy)butyric acid
SpectraBase Compound ID JDW8DpQGILC
InChI InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey LLWADFLAOKUBDR-UHFFFAOYSA-N
Mol Weight 228.67 g/mol
Molecular Formula C11H13ClO3
Exact Mass 228.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PwNZk8jnf
Name MCPB
CAS Registry Number 94-81-5
Classification Herbicide
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Exact Mass 228.055321976 u
Formula C11H13ClO3
InChI InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey LLWADFLAOKUBDR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 228.675 g/mol
SMILES c1(ccc(c(C)c1)OCCCC(O)=O)Cl
SPLASH splash10-0006-4900000000-eee34fdb2e1172d350c8
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1075