| SpectraBase Spectrum ID |
4SCOIy2EB7H |
| Name |
Isophthalic acid, 1-adamantylmethyl pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.230059506 u |
| Formula |
C24H32O4 |
| InChI |
InChI=1S/C24H32O4/c1-2-3-4-8-27-22(25)20-6-5-7-21(12-20)23(26)28-16-24-13-17-9-18(14-24)11-19(10-17)15-24/h5-7,12,17-19H,2-4,8-11,13-16H2,1H3/t17-,18+,19-,24- |
| InChIKey |
ZEBLMXVQRGBIQK-PCFUMONKSA-N |
| Molecular Weight |
384.516 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)[H] |
