| SpectraBase Spectrum ID |
Gsm8HuLo5s |
| Name |
Terephthalic acid, cycloheptyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-14(2)13-22-18(20)15-9-11-16(12-10-15)19(21)23-17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3 |
| InChIKey |
FOBLAJHDKDHVHW-UHFFFAOYSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
C1(CCCCCC1)OC(=O)C1=CC=C(C=C1)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918031 |
