| SpectraBase Compound ID | ABEjDPfLv0r |
|---|---|
| InChI | InChI=1S/C13H16/c1-2-6-11(7-3-1)13-9-5-4-8-12(13)10-13/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | GJUWIDAFIWWNSH-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2DQXXVN80dX |
|---|---|
| Name | 1-Phenylbicyclo(4.1.0)heptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-2-6-11(7-3-1)13-9-5-4-8-12(13)10-13/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | GJUWIDAFIWWNSH-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C12(C(CCCC2)C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852231 |