| SpectraBase Spectrum ID |
J2c3QDMqcOJ |
| Name |
(5S)-3-(but-2-Enyl)-4-hydroxy-5-methylfuran-2(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
168.078644243 u |
| Formula |
C9H12O3 |
| InChI |
InChI=1S/C9H12O3/c1-3-4-5-7-8(10)6(2)12-9(7)11/h3-4,6,10H,5H2,1-2H3/b4-3+/t6-/m0/s1 |
| InChIKey |
SFNAUUDDKNUPNV-YUDCMIJISA-N |
| Molecular Weight |
168.192 g/mol |
| SMILES |
C1(O[C@](C(=C1C\C=C\C)O)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902285 |
