| SpectraBase Spectrum ID |
9lKZdEp2LHy |
| Name |
Acumitin [1,3-dihydroxy-2-[(2-hydroxyphenyl)methyl]-9H-xanthen-9-one-4-yl]-3-phenyl-1-propanone] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.141638422 u |
| Formula |
C29H22O6 |
| InChI |
InChI=1S/C29H22O6/c30-21-12-6-4-10-18(21)16-20-27(33)24(22(31)15-14-17-8-2-1-3-9-17)29-25(28(20)34)26(32)19-11-5-7-13-23(19)35-29/h1-13,30,33-34H,14-16H2 |
| InChIKey |
NIFSYUFGZVWGGD-UHFFFAOYSA-N |
| Molecular Weight |
466.489 g/mol |
| SMILES |
C12=C(C(=C(O)C(=C2O)CC2=C(O)C=CC=C2)C(=O)CCC=2C=CC=CC2)OC=2C=CC=CC2C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917538 |
![Acumitin [1,3-dihydroxy-2-[(2-hydroxyphenyl)methyl]-9H-xanthen-9-one-4-yl]-3-phenyl-1-propanone]](/api/spectrum/9lKZdEp2LHy/structure.png?h=300&w=458 "Acumitin [1,3-dihydroxy-2-[(2-hydroxyphenyl)methyl]-9H-xanthen-9-one-4-yl]-3-phenyl-1-propanone]")
