| SpectraBase Spectrum ID |
70EcPdWncrl |
| Name |
1-(7-Methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)ethanone |
| 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/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h7-8H,5-6H2,1-4H3 |
| InChIKey |
KUQPQYWNBDCSDN-UHFFFAOYSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C=1(C(=CC2=C(C1)CCC(C)(C)O2)OC)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958138 |
