| SpectraBase Compound ID | 5j94KXxp2bO |
|---|---|
| InChI | InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1 |
| InChIKey | MUPPEBVXFKNMCI-QMMMGPOBSA-N |
| Mol Weight | 130.23 g/mol |
| Molecular Formula | C8H18O |
| Exact Mass | 130.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KMAwD0rUO7f |
|---|---|
| Name | (3S)-3-Methyl-1-heptanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.135765199 u |
| Formula | C8H18O |
| InChI | InChI=1S/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1 |
| InChIKey | MUPPEBVXFKNMCI-QMMMGPOBSA-N |
| Molecular Weight | 130.231 g/mol |
| SMILES | C(O)C[C@](CCCC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959341 |