| SpectraBase Spectrum ID |
96kUubZu3oL |
| Name |
9-Benzyl-9,10-dihydro-11,13-dimethyl-9,10-propanoanthracen-12-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.182715392 u |
| Formula |
C26H24O |
| InChI |
InChI=1S/C26H24O/c1-17-24-20-12-6-8-14-22(20)26(18(2)25(17)27,16-19-10-4-3-5-11-19)23-15-9-7-13-21(23)24/h3-15,17-18,24H,16H2,1-2H3/t17-,18+,24-,26-/m1/s1 |
| InChIKey |
CSXDWHWCAYADKZ-QGLIMSILSA-N |
| Molecular Weight |
352.477 g/mol |
| SMILES |
[C@]12(C3=C(C=CC=C3)[C@](C=3C1=CC=CC3)([C@](C([C@@]2(C)[H])=O)(C)[H])[H])CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873341 |
