| SpectraBase Spectrum ID |
K174vYPkgEN |
| Name |
(R)-3-Heptyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-3-5-11-13(4-2)16-14(15)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3/t13-/m1/s1 |
| InChIKey |
QBMDOZADPSFEBH-CYBMUJFWSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C1=CC(=CC=C1)C(O[C@](CC)(CCCC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968238 |
