| SpectraBase Spectrum ID |
9c2txvIVWrA |
| Name |
3-(1,3-Benzodioxol-5-yl)-4-methoxy-4-methyl-1-pentanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.136159120 u |
| Formula |
C14H20O4 |
| InChI |
InChI=1S/C14H20O4/c1-14(2,16-3)11(6-7-15)10-4-5-12-13(8-10)18-9-17-12/h4-5,8,11,15H,6-7,9H2,1-3H3 |
| InChIKey |
DIKCQSQRTYEBKQ-UHFFFAOYSA-N |
| Molecular Weight |
252.310 g/mol |
| SMILES |
C=1(C=C2OCOC2=CC1)C(C(OC)(C)C)CCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989555 |
