| SpectraBase Spectrum ID |
gcfWHjUl7p |
| Name |
9,10-Propanoanthracene-11,11-dicarboxylic acid, 9,10-dihydro-13-phenyl-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.198759378 u |
| Formula |
C29H28O4 |
| InChI |
InChI=1S/C29H28O4/c1-3-32-27(30)29(28(31)33-4-2)18-24(19-12-6-5-7-13-19)25-20-14-8-10-16-22(20)26(29)23-17-11-9-15-21(23)25/h5-17,24-26H,3-4,18H2,1-2H3/t24-,25-,26+/m0/s1 |
| InChIKey |
TZCZAHGHRRHAFQ-KKUQBAQOSA-N |
| Molecular Weight |
440.539 g/mol |
| SMILES |
C12=C([C@]3(C=4C([C@@]2([C@@](CC3(C(=O)OCC)C(OCC)=O)(C2=CC=CC=C2)[H])[H])=CC=CC4)[H])C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91436 |
