| SpectraBase Spectrum ID |
mPUjndPywS |
| Name |
Phthalic acid, 2-adamantyl neopentyl 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/c1-23(2,3)13-26-21(24)18-6-4-5-7-19(18)22(25)27-20-16-9-14-8-15(11-16)12-17(20)10-14/h4-7,14-17,20H,8-13H2,1-3H3/t14-,15+,16-,17+,20? |
| InChIKey |
ZFOUSWMEXUTIKD-YMSSVPQNSA-N |
| Molecular Weight |
370.489 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(OCC(C)(C)C)=O)C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O |
