| SpectraBase Spectrum ID |
Guo2D13AIMm |
| Name |
Isophthalic acid, di-(-)-menthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.308309828 u |
| Formula |
C28H42O4 |
| InChI |
InChI=1S/C28H42O4/c1-17(2)23-12-10-19(5)14-25(23)31-27(29)21-8-7-9-22(16-21)28(30)32-26-15-20(6)11-13-24(26)18(3)4/h7-9,16-20,23-26H,10-15H2,1-6H3 |
| InChIKey |
CDXGPFYEXRGJGH-UHFFFAOYSA-N |
| Molecular Weight |
442.640 g/mol |
| SMILES |
CC(C)C1C(OC(C2=CC=CC(C(OC3C(C(C)C)CCC(C3)C)=O)=C2)=O)CC(CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927414 |
