| SpectraBase Compound ID | HrfPQs8m0QN |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-3-4-5-7(2)8(10)6-9/h3,7-10H,1,4-6H2,2H3/t7-,8+/m0/s1 |
| InChIKey | UAODWIAAWCTNGG-JGVFFNPUSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KBLSEkitOW7 |
|---|---|
| Name | (2S,3S)-3-Methylhept-6-ene-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-3-4-5-7(2)8(10)6-9/h3,7-10H,1,4-6H2,2H3/t7-,8+/m0/s1 |
| InChIKey | UAODWIAAWCTNGG-JGVFFNPUSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(=C)CC[C@@]([C@](O)(CO)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971873 |