| SpectraBase Spectrum ID |
LUgCYbxDYg0 |
| Name |
(1S,2R,3S)-(+)-1,2,3-triacetoxy-2,3-dihydro-9-(4'-methoxyphenyl)phenalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.152203106 u |
| Formula |
C26H24O7 |
| InChI |
InChI=1S/C26H24O7/c1-14(27)31-24-21-7-5-6-18-10-13-20(17-8-11-19(30-4)12-9-17)23(22(18)21)25(32-15(2)28)26(24)33-16(3)29/h5-13,24-26H,1-4H3/t24-,25-,26+/m0/s1 |
| InChIKey |
SNJNNMCRFHGSTH-KKUQBAQOSA-N |
| Molecular Weight |
448.471 g/mol |
| SMILES |
[C@]1([C@](C2=C(C=CC=3C2=C([C@@]1(OC(=O)C)[H])C=CC3)C1=CC=C(C=C1)OC)(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869238 |
