| SpectraBase Spectrum ID |
VdM6L6EDKk |
| Name |
Isophthalic acid, 1-adamantylmethyl propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.198759378 u |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H28O4/c1-2-6-25-20(23)18-4-3-5-19(10-18)21(24)26-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h3-5,10,15-17H,2,6-9,11-14H2,1H3/t15-,16+,17-,22- |
| InChIKey |
YFRRZWAZAJHLLZ-OMOYSXNNSA-N |
| Molecular Weight |
356.462 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(C1=CC(=CC=C1)C(OCCC)=O)=O |
