| SpectraBase Spectrum ID |
6XBWKLxtnAy |
| Name |
Salicylic acid, 3-methylbutyl ether, 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-13(2)9-11-19-16-8-6-5-7-15(16)17(18)20-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3 |
| InChIKey |
SYULKQZQVWWGQJ-UHFFFAOYSA-N |
| Molecular Weight |
278.392 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCC(C)C)=O)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946932 |
