| SpectraBase Spectrum ID |
55T17Rgif5i |
| Name |
Phthalic acid, 1-adamantylmethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.198759378 u |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H28O4/c1-2-7-25-20(23)18-5-3-4-6-19(18)21(24)26-14-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-6,15-17H,2,7-14H2,1H3/t15-,16+,17-,22- |
| InChIKey |
VURMGIJBKBDOIV-OMOYSXNNSA-N |
| Molecular Weight |
356.462 g/mol |
| SMILES |
CCCOC(C1=C(C(OCC23C[C@]4(C[C@](C[C@](C4)(C3)[H])(C2)[H])[H])=O)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89417 |
