| SpectraBase Spectrum ID |
JER2K2F6q6y |
| Name |
Phthalicacid,6-methylhept-2-yl nonyl ester |
| Classification |
Softener |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
404.292659764 u |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-5-6-7-8-9-10-13-19-28-24(26)22-17-11-12-18-23(22)25(27)29-21(4)16-14-15-20(2)3/h11-12,17-18,20-21H,5-10,13-16,19H2,1-4H3 |
| InChIKey |
JQHJESVUFUNCLT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
404.591 g/mol |
| Nominal Mass |
404 u |
| Quality |
998 |
| Retention Index |
2898 |
| SMILES |
C=1(C(C(OCCCCCCCCC)=O)=CC=CC1)C(OC(CCCC(C)C)C)=O |
| SPLASH |
splash10-0002-4900000000-3e74395f68da88a0ab56 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(6-methylheptan-2-yl) 2-nonyl benzene-1,2-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019276 |
