| SpectraBase Spectrum ID |
1DJ8gCZLO8s |
| Name |
3-Benzyl-4-hydroxyheptane-2,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.125594437 u |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c1-10(15)8-14(17)13(11(2)16)9-12-6-4-3-5-7-12/h3-7,13-14,17H,8-9H2,1-2H3 |
| InChIKey |
KUBNHEJLMCJIPQ-UHFFFAOYSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C(CC(C)=O)(C(C(C)=O)CC1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931645 |
