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 |