| SpectraBase Spectrum ID |
JJeucr9kHRo |
| Name |
Methyl-butyl-phthalate |
| CAS Registry Number |
34006-76-3 |
| Classification |
Softener |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); 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 |
892 |
| Retention Index |
1671 |
| SMILES |
C=1(C(C(OC)=O)=CC=CC1)C(OCCCC)=O |
| SPLASH |
splash10-03dj-4900000000-4c27711e6a21579c351d |
| 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_002098 |
