| SpectraBase Compound ID | HWvYeT8Qx2g |
|---|---|
| InChI | InChI=1S/C7H12O2/c8-6-4-2-1-3-5-7(6)9/h2,4,6-9H,1,3,5H2/t6-,7+/m0/s1 |
| InChIKey | ZXXMZVKQEZNIHG-NKWVEPMBSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7mxSCY7Azv2 |
|---|---|
| Name | (1R,2S)-1,2-Dihydroxycyclohept-3-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c8-6-4-2-1-3-5-7(6)9/h2,4,6-9H,1,3,5H2/t6-,7+/m0/s1 |
| InChIKey | ZXXMZVKQEZNIHG-NKWVEPMBSA-N |
| SMILES | [C@]1([C@](C=CCCC1)(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868946 |