| SpectraBase Compound ID | FVF3KhlTY76 |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-9(18-4)5-6-12-13-7-11-10(2)15(17)19-14(11)8-16(12,13)3/h9,11-14H,2,5-8H2,1,3-4H3/t9-,11-,12+,13+,14-,16-/m1/s1 |
| InChIKey | WDEMEYBHMQFQBL-RRIZRRDFSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5wkV6QqSWHB |
|---|---|
| Name | Carabrol, me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.172544630 u |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-9(18-4)5-6-12-13-7-11-10(2)15(17)19-14(11)8-16(12,13)3/h9,11-14H,2,5-8H2,1,3-4H3/t9-,11-,12+,13+,14-,16-/m1/s1 |
| InChIKey | WDEMEYBHMQFQBL-RRIZRRDFSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | [C@]12([H])C[C@]3([C@@]([H])(C[C@]2([H])C(=C)C(=O)O1)[C@@]3(CC[C@](OC)(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828463 |