| SpectraBase Spectrum ID |
LYPQ6hKblHQ |
| Name |
9-Methoxy-4-methyl-3,4,6,7-tetrahydrobenzo[B]oxonin-5(2H)-one |
| 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/c1-10-7-8-17-14-6-4-12(16-2)9-11(14)3-5-13(10)15/h4,6,9-10H,3,5,7-8H2,1-2H3 |
| InChIKey |
HBNGKIIIEWYCBH-UHFFFAOYSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C1=2OCCC(C(CCC2C=C(C=C1)OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985526 |
![9-Methoxy-4-methyl-3,4,6,7-tetrahydrobenzo[B]oxonin-5(2H)-one](/api/spectrum/LYPQ6hKblHQ/structure.png?h=300&w=458 "9-Methoxy-4-methyl-3,4,6,7-tetrahydrobenzo[B]oxonin-5(2H)-one")
