| SpectraBase Spectrum ID |
JJ1m8z4dcGW |
| Name |
Dimethylisophthalate |
| CAS Registry Number |
1459-93-4 |
| Classification |
Chemical |
| 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 |
194.057908798 u |
| Formula |
C10H10O4 |
| InChI |
InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3 |
| InChIKey |
VNGOYPQMJFJDLV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
194.186 g/mol |
| Nominal Mass |
194 u |
| Quality |
993 |
| Retention Index |
1396 |
| SMILES |
C=1(C=C(C(OC)=O)C=CC1)C(OC)=O |
| SPLASH |
splash10-03di-2900000000-b5ba5cc77c84c056211f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-Benzenedicarboxylic acid dimethyl ester,Dimethyl m-phthalate
1,3-Benzenedicarboxylicacid-dimethyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001131 |
