| SpectraBase Spectrum ID |
9e8iyNLwdmq |
| Name |
Phthalic acid, 2-(3-bromophenyl)ethyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.109272345 u |
| Formula |
C23H27BrO4 |
| InChI |
InChI=1S/C23H27BrO4/c1-2-3-4-5-8-15-27-22(25)20-12-6-7-13-21(20)23(26)28-16-14-18-10-9-11-19(24)17-18/h6-7,9-13,17H,2-5,8,14-16H2,1H3 |
| InChIKey |
JSDOJUSXJFXFEY-UHFFFAOYSA-N |
| Molecular Weight |
447.369 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCCCCCCC)=O |
