| SpectraBase Spectrum ID |
8u9Kzxn0Q0F |
| Name |
Phthalic acid, 3-methylphenyl 3-nitrophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.089937201 u |
| Formula |
C21H15NO6 |
| InChI |
InChI=1S/C21H15NO6/c1-14-6-4-8-16(12-14)27-20(23)18-10-2-3-11-19(18)21(24)28-17-9-5-7-15(13-17)22(25)26/h2-13H,1H3 |
| InChIKey |
YVRXQRCPBBVXCL-UHFFFAOYSA-N |
| Molecular Weight |
377.352 g/mol |
| SMILES |
CC1=CC=CC(=C1)OC(C1=C(C(OC2=CC=CC(=C2)N(=O)=O)=O)C=CC=C1)=O |
