| SpectraBase Spectrum ID |
LDLxlNl3YPf |
| Name |
3-Nonen-2-one, 8-hydroxy-5-(1-hydroxy-1-methylethyl)-8-methyl-, [S-(E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.172544630 u |
| Formula |
C13H24O3 |
| InChI |
InChI=1S/C13H24O3/c1-10(14)6-7-11(13(4,5)16)8-9-12(2,3)15/h6-7,11,15-16H,8-9H2,1-5H3/b7-6+/t11-/m1/s1 |
| InChIKey |
NRIDKBYVIAFGHT-XUIVZRPNSA-N |
| Molecular Weight |
228.332 g/mol |
| SMILES |
C(\C=C\[C@@](C(O)(C)C)(CCC(O)(C)C)[H])(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938177 |
![3-Nonen-2-one, 8-hydroxy-5-(1-hydroxy-1-methylethyl)-8-methyl-, [S-(E)]-](/api/spectrum/LDLxlNl3YPf/structure.png?h=300&w=458 "3-Nonen-2-one, 8-hydroxy-5-(1-hydroxy-1-methylethyl)-8-methyl-, [S-(E)]-")
