| SpectraBase Spectrum ID |
DAsEeamBLa4 |
| Name |
Isophthalic acid, 1-adamantylmethyl isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.214409442 u |
| Formula |
C23H30O4 |
| InChI |
InChI=1S/C23H30O4/c1-15(2)13-26-21(24)19-4-3-5-20(9-19)22(25)27-14-23-10-16-6-17(11-23)8-18(7-16)12-23/h3-5,9,15-18H,6-8,10-14H2,1-2H3/t16-,17+,18-,23- |
| InChIKey |
UTFVDGIJHSHNQO-BRGRSMLUSA-N |
| Molecular Weight |
370.489 g/mol |
| SMILES |
C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])COC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O |
