| SpectraBase Compound ID | 784XNNgf1US |
|---|---|
| InChI | InChI=1S/C19H21NO/c1-18-15-7-12-6-13(9-15)17(16(18)8-12)19(18,21)14-4-2-11(10-20)3-5-14/h2-5,12-13,15-17,21H,6-9H2,1H3/t12-,13+,15-,16+,17-,18+,19-/m0/s1 |
| InChIKey | ZJTXAIXJBQZDEA-SGMDXHTJSA-N |
| Mol Weight | 279.38 g/mol |
| Molecular Formula | C19H21NO |
| Exact Mass | 279.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | QyWDCGYlgw |
|---|---|
| Name | (Endo)-arylcyclobutanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.162314299 u |
| Formula | C19H21NO |
| InChI | InChI=1S/C19H21NO/c1-18-15-7-12-6-13(9-15)17(16(18)8-12)19(18,21)14-4-2-11(10-20)3-5-14/h2-5,12-13,15-17,21H,6-9H2,1H3/t12-,13+,15-,16+,17-,18+,19-/m0/s1 |
| InChIKey | ZJTXAIXJBQZDEA-SGMDXHTJSA-N |
| SMILES | [C@@]12([C@@](C3=CC=C(C#N)C=C3)(O)[C@@]3([C@]1(C[C@@]1(C[C@]2(C[C@]3(C1)[H])[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895312 |