| SpectraBase Compound ID | S0wMuCQBvU |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-5-2-7-4-8-10-9(14-11(5)8)3-6(1)12(10)13-7/h5-12H,1-4H2 |
| InChIKey | TUCDSBQSHXXINH-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ABFlJn3PHog |
|---|---|
| Name | 5,2,9-Ethanylylidene-1-benzoxepin-11-ol, 2,3,4,5,5A,8,9,9A-octahydro-, (2.alpha.,5.alpha.,5A.beta.,9.alpha.,9A.beta.,10S*,11S*)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-5-2-7-4-8-10-9(14-11(5)8)3-6(1)12(10)13-7/h5-12H,1-4H2 |
| InChIKey | TUCDSBQSHXXINH-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C12C3C4CC5C(C2CC(C5)O3)OC1C4 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832784 |