| SpectraBase Compound ID | E88xYItwLTc |
|---|---|
| InChI | InChI=1S/C15H18O2/c16-14(17)15-10-4-3-6-12(15)9-8-11-5-1-2-7-13(11)15/h1-2,5,7,12H,3-4,6,8-10H2,(H,16,17)/t12-,15+/m0/s1 InChI=1S/C15H18O2/c16-14(17)15-10-4-3-6-12(15)9-8-11-5-1-2-7-13(11)15/h1-2,5,7,12H,3-4,6,8-10H2,(H,16,17)/t12-,15+/m1/s1 |
| InChIKey | HPCLHJWDQZUSAQ-SWLSCSKDSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C15H18O2 |
| Exact Mass | 230.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5FPivDIyxjx |
|---|---|
| Name | (+/-)-1,2,3,4,4A,9,10,10A beta-octahydro-4A beta-phenanthrenecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.130679818 u |
| Formula | C15H18O2 |
| InChI | InChI=1S/C15H18O2/c16-14(17)15-10-4-3-6-12(15)9-8-11-5-1-2-7-13(11)15/h1-2,5,7,12H,3-4,6,8-10H2,(H,16,17)/t12-,15+/m0/s1 |
| InChIKey | HPCLHJWDQZUSAQ-SWLSCSKDSA-N |
| Molecular Weight | 230.307 g/mol |
| SMILES | OC([C@@]12C3=CC=CC=C3CC[C@@]1(CCCC2)[H])=O |
| Spectrum/Structure Validation Score (Raman) | 0.829777 |