| SpectraBase Spectrum ID |
8XesgkpzBzK |
| Name |
(4S,5S,6S,7R)-5,7-Dimethoxy-4,6-dimethyl-8-phenylmethoxy-octanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.209324061 u |
| Formula |
C19H30O5 |
| InChI |
InChI=1S/C19H30O5/c1-14(10-11-18(20)21)19(23-4)15(2)17(22-3)13-24-12-16-8-6-5-7-9-16/h5-9,14-15,17,19H,10-13H2,1-4H3,(H,20,21)/t14-,15+,17-,19-/m0/s1 |
| InChIKey |
TWUBPNWKSYGFRE-HIRMHNASSA-N |
| Molecular Weight |
338.444 g/mol |
| SMILES |
[C@@]([C@]([C@](CCC(=O)O)(C)[H])(OC)[H])([C@@](OC)(COCC1=CC=CC=C1)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931816 |
