| SpectraBase Spectrum ID |
LnyKQ0UrXqP |
| Name |
Phenylacetic acid, 1-adamantylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.177630011 u |
| Formula |
C19H24O2 |
| InChI |
InChI=1S/C19H24O2/c20-18(9-14-4-2-1-3-5-14)21-13-19-10-15-6-16(11-19)8-17(7-15)12-19/h1-5,15-17H,6-13H2/t15-,16+,17-,19- |
| InChIKey |
VKMYSAIUVWVKBS-SXOLKLDHSA-N |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)CC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942023 |
