| SpectraBase Spectrum ID |
4BFmv8WuZ0t |
| Name |
Ethyl 3-heptyl-2-hydroxy-4,5,6-trimethylbenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-6-8-9-10-11-12-16-14(4)13(3)15(5)17(18(16)20)19(21)22-7-2/h20H,6-12H2,1-5H3 |
| InChIKey |
NBAGVXLJDMOPFQ-UHFFFAOYSA-N |
| SMILES |
C(C=1C(=C(C(=C(C1C)C)C)CCCCCCC)O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873914 |
