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1,2-Benzenedicarboxylic acid butyl methylester
SpectraBase Compound ID 2s1ekgSES0s
InChI InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey XXFSYINDUHLBIL-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Do71e9cjPsm
Name Methyl-butyl-phthalate
CAS Registry Number 34006-76-3
Classification Softener
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChIKey XXFSYINDUHLBIL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.267 g/mol
Nominal Mass 236 u
Quality 880
Retention Index 1671
SMILES C=1(C(C(OC)=O)=CC=CC1)C(OCCCC)=O
SPLASH splash10-03di-1900000000-4230f4610c261829ebec
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1,2-Benzenedicarboxylicacid-butyl methyl ester 1-butyl 2-methyl benzene-1,2-dicarboxylate
Technique GC/MS
Wiley ID DD2024_002099