| SpectraBase Spectrum ID |
zzDfNsI3Ob |
| Name |
5-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.104858991 u |
| Formula |
C16H16O4 |
| InChI |
InChI=1S/C16H16O4/c1-9(2)7-8-11-14(18)13-10(5-4-6-12(13)17)15(19)16(11)20-3/h4-7,17H,8H2,1-3H3 |
| InChIKey |
NWNBATRYXJMZTO-UHFFFAOYSA-N |
| Molecular Weight |
272.300 g/mol |
| SMILES |
C1(C(=C(C(C=2C(=CC=CC12)O)=O)CC=C(C)C)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871648 |
