SpectraBase Spectrum ID |
JUKhfy6rfOZ |
Name |
3,4-(Methylenedioxy)-2',3',4',5',6'-pentamethylchalcone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.156894565 u |
Formula |
C21H22O3 |
InChI |
InChI=1S/C21H22O3/c1-12-13(2)15(4)21(16(5)14(12)3)18(22)8-6-17-7-9-19-20(10-17)24-11-23-19/h6-10H,11H2,1-5H3 |
InChIKey |
SDRBEXRJZIKEIB-UHFFFAOYSA-N |
Molecular Weight |
322.404 g/mol |
SMILES |
C=1(C(=C(C(=C(C1C)C)C)C)C(C=CC=1C=CC=2OCOC2C1)=O)C |
Spectrum/Structure Validation Score (Raman) |
0.949646 |