| SpectraBase Compound ID | BfLRSFibTc2 |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-7(5-8)3-2-6(9)4-7/h2-3,6,8-9H,4-5H2,1H3/t6-,7+/m1/s1 |
| InChIKey | IDWWUCXOGPDLEV-RQJHMYQMSA-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 | 4cuShPhTVxo |
|---|---|
| Name | (1S,4R)-4-Hydroxymethyl-4-methylcyclopent-2-en-1-ol |
| 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/c1-7(5-8)3-2-6(9)4-7/h2-3,6,8-9H,4-5H2,1H3/t6-,7+/m1/s1 |
| InChIKey | IDWWUCXOGPDLEV-RQJHMYQMSA-N |
| SMILES | [C@]1(O)(C=C[C@](C1)(C)CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891671 |