| SpectraBase Spectrum ID |
8FfjaUI4n68 |
| Name |
1,4-Benzenedicarboxylic acid monomethyl ester |
| CAS Registry Number |
39379-10-7 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.042258734 u |
| Formula |
C9H8O4 |
| InChI |
InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChIKey |
REIDAMBAPLIATC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.159 g/mol |
| Nominal Mass |
180 u |
| Quality |
943 |
| Retention Index |
1296 |
| SMILES |
OC(C=1C=CC(C(OC)=O)=CC1)=O |
| SPLASH |
splash10-0002-5900000000-16d6a143c17b1b53b85d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Monomethyl terephthalate
4-(Methoxycarbonyl)benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022586 |
