| SpectraBase Spectrum ID |
DKcGu7fR2VB |
| Name |
(+)-(8S)-8-hydroxy-12-nordrimanic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.188194694 u |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-14(2)8-5-9-15(3)11(14)7-6-10(16)12(15)13(17)18-4/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,15-/m0/s1 |
| InChIKey |
PNORERWVNDPBJT-OHTBPHCPSA-N |
| Molecular Weight |
254.370 g/mol |
| SMILES |
[C@@]12([C@@](C(=O)OC)([C@@](O)(CC[C@]2(C(C)(C)CCC1)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950661 |
