| SpectraBase Spectrum ID |
GeOtPsdKRpJ |
| Name |
Terephthalic acid, ethyl 4-nitro-3-methylbenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.105587265 u |
| Formula |
C18H17NO6 |
| InChI |
InChI=1S/C18H17NO6/c1-3-24-17(20)14-5-7-15(8-6-14)18(21)25-11-13-4-9-16(19(22)23)12(2)10-13/h4-10H,3,11H2,1-2H3 |
| InChIKey |
ZXLKLPJAXJEZLH-UHFFFAOYSA-N |
| Molecular Weight |
343.335 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCC1=CC(C)=C(C=C1)N(=O)=O |
