| SpectraBase Spectrum ID |
LCjV3INNAaT |
| Name |
Methyl 4-octyloxybenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.172544630 u |
| Formula |
C16H24O3 |
| InChI |
InChI=1S/C16H24O3/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-8,13H2,1-2H3 |
| InChIKey |
JCVLYBQFVTYGKT-UHFFFAOYSA-N |
| Molecular Weight |
264.365 g/mol |
| SMILES |
C1=C(C=CC(=C1)OCCCCCCCC)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828097 |
