| SpectraBase Compound ID | CdmkdpT4n9J |
|---|---|
| InChI | InChI=1S/C19H28O/c1-13-6-8-14(9-7-13)19(20)16-12-18(19,5)11-10-15(16)17(2,3)4/h6-9,15-16,20H,10-12H2,1-5H3/t15?,16-,18-,19-/m0/s1 |
| InChIKey | RQIOSEGRPGXRRS-PVRLSMEHSA-N |
| Mol Weight | 272.43 g/mol |
| Molecular Formula | C19H28O |
| Exact Mass | 272.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2k92KaCnYAe |
|---|---|
| Name | (Endo)-arylcyclobutanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.214015521 u |
| Formula | C19H28O |
| InChI | InChI=1S/C19H28O/c1-13-6-8-14(9-7-13)19(20)16-12-18(19,5)11-10-15(16)17(2,3)4/h6-9,15-16,20H,10-12H2,1-5H3/t15?,16-,18-,19-/m0/s1 |
| InChIKey | RQIOSEGRPGXRRS-PVRLSMEHSA-N |
| Molecular Weight | 272.432 g/mol |
| SMILES | [C@]12([C@@]([C@](C(C(C)(C)C)CC2)(C1)[H])(C=1C=CC(C)=CC1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954684 |