| SpectraBase Compound ID | GyHa3PBtm34 |
|---|---|
| InChI | InChI=1S/C15H21ClO2/c1-12(2)10(9-17)7-14(4)15(12)6-5-13(3,16)11(8-15)18-14/h7,9,11H,5-6,8H2,1-4H3/t11?,13-,14-,15+/m1/s1 |
| InChIKey | ZFIOMRPWJXWTDM-WKOCEIDGSA-N |
| Mol Weight | 268.78 g/mol |
| Molecular Formula | C15H21ClO2 |
| Exact Mass | 268.123008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JFrlpmX0Zdg |
|---|---|
| Name | Laurencial |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.123007614 u |
| Formula | C15H21ClO2 |
| InChI | InChI=1S/C15H21ClO2/c1-12(2)10(9-17)7-14(4)15(12)6-5-13(3,16)11(8-15)18-14/h7,9,11H,5-6,8H2,1-4H3/t11?,13-,14-,15+/m1/s1 |
| InChIKey | ZFIOMRPWJXWTDM-WKOCEIDGSA-N |
| SMILES | [C@@]123[C@](OC(C3)[C@@](CC1)(Cl)C)(C=C(C2(C)C)C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914906 |