| SpectraBase Spectrum ID |
8HhyetEruz2 |
| Name |
2-Hydroxyethyl methyl terephthalate |
| CAS Registry Number |
3645-00-9 |
| Classification |
Chemical |
| 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 |
224.068473481 u |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3 |
| InChIKey |
DJQMYWWZWUOCBQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
224.212 g/mol |
| Nominal Mass |
224 u |
| Quality |
975 |
| Retention Index |
1605 |
| SMILES |
OCCOC(C1=CC=C(C(OC)=O)C=C1)=O |
| SPLASH |
splash10-03e9-2900000000-a2cddf574f669c7f1edc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Terephthalic acid 2-hydroxyethyl methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022571 |
