| SpectraBase Compound ID | KmLSMb1UETE |
|---|---|
| InChI | InChI=1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | PVHNKILPLXXDDZ-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | XHNyhvdmm3 |
|---|---|
| Name | 2-Phenylcycloheptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | PVHNKILPLXXDDZ-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C1(C(C2=CC=CC=C2)CCCCC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.967087 |