| SpectraBase Spectrum ID |
8h8g8Wiwakc |
| Name |
2,3-Dihexoxy-1-methyl-phenanthrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.271530397 u |
| Formula |
C27H36O2 |
| InChI |
InChI=1S/C27H36O2/c1-4-6-8-12-18-28-26-20-25-23(17-16-22-14-10-11-15-24(22)25)21(3)27(26)29-19-13-9-7-5-2/h10-11,14-17,20H,4-9,12-13,18-19H2,1-3H3 |
| InChIKey |
ZHEXAYXTGMKTMM-UHFFFAOYSA-N |
| Molecular Weight |
392.583 g/mol |
| SMILES |
C1=2C(=C(C)C(=C(C2)OCCCCCC)OCCCCCC)C=CC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851808 |
