| SpectraBase Spectrum ID |
Ccv1NNTB4VH |
| Name |
Methyl 16-hydroxy-3,3-dimethylheptadecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.297745145 u |
| Formula |
C20H40O3 |
| InChI |
InChI=1S/C20H40O3/c1-18(21)15-13-11-9-7-5-6-8-10-12-14-16-20(2,3)17-19(22)23-4/h18,21H,5-17H2,1-4H3 |
| InChIKey |
IMAQZKHNUMIPHU-UHFFFAOYSA-N |
| Molecular Weight |
328.537 g/mol |
| SMILES |
C(=O)(CC(CCCCCCCCCCCCC(O)C)(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857228 |
