| SpectraBase Compound ID | 4jOj4hde7Xg |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-10(7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m1/s1 |
| InChIKey | SEINCOLPXCLPDL-SNVBAGLBSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4kKJF31Yydv |
|---|---|
| Name | (R)-3-Benzyloxybutan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-10(7-8-12)13-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m1/s1 |
| InChIKey | SEINCOLPXCLPDL-SNVBAGLBSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C(O[C@@](CCO)(C)[H])C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838453 |