| SpectraBase Compound ID | IpMTgdcJSiD |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-8-12(16)6-11-9-4-5-10(13(17)18)15(8,11)7-14(9,2)3/h8-11H,4-7H2,1-3H3,(H,17,18)/t8-,9+,10-,11?,15+/m0/s1 |
| InChIKey | UFLSHMKXGZOAQP-OJYGZCDVSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6kngLA7XOoC |
|---|---|
| Name | Dihydroterrecyclic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-8-12(16)6-11-9-4-5-10(13(17)18)15(8,11)7-14(9,2)3/h8-11H,4-7H2,1-3H3,(H,17,18)/t8-,9+,10-,11?,15+/m0/s1 |
| InChIKey | UFLSHMKXGZOAQP-OJYGZCDVSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | [C@@]1(CC[C@@]2(C3[C@@]1([C@@](C)(C(C3)=O)[H])CC2(C)C)[H])(C(O)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934051 |