| SpectraBase Spectrum ID |
JwqpDfTWh53 |
| Name |
1-Adamantanecarboxylic acid, 2-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-3-4-11(2)18-15(17)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,3-10H2,1-2H3/t11?,12-,13+,14-,16- |
| InChIKey |
HXWCHAWBHYAJCV-FJBVBYHMSA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(OC(CCC)C)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812021 |
