| SpectraBase Compound ID | GcJZKFsYNa3 |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-2-3-7-12-10(8-13)5-4-6-11(12)9-14/h4-6,13-14H,2-3,7-9H2,1H3 |
| InChIKey | WONMSODTCIPFFF-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2pbbl7aiWkb |
|---|---|
| Name | 1,3-Benzenedimethanol, 2-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-2-3-7-12-10(8-13)5-4-6-11(12)9-14/h4-6,13-14H,2-3,7-9H2,1H3 |
| InChIKey | WONMSODTCIPFFF-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C=1(C(CO)=CC=CC1CO)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944359 |