| SpectraBase Spectrum ID |
C6g8XDKwt5a |
| Name |
12D-Methyl-4B,8B,12B-tris[(methoxyethoxy)ethoxy]-4B,8B12B,12D-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
648.329833117 u |
| Formula |
C38H48O9 |
| InChI |
InChI=1S/C38H48O9/c1-35-36(45-26-23-42-20-17-39-2)29-11-5-7-13-31(29)37(35,46-27-24-43-21-18-40-3)33-15-9-10-16-34(33)38(35,32-14-8-6-12-30(32)36)47-28-25-44-22-19-41-4/h5-16H,17-28H2,1-4H3/t35-,36-,37+,38- |
| InChIKey |
COZUXZVCNSWOLH-DXMDXLPBSA-N |
| Molecular Weight |
648.793 g/mol |
| SMILES |
C12([C@]3(C=4C=CC=CC4[C@@]2(C=2C=CC=CC2[C@@]1(C=1C=CC=CC31)OCCOCCOC)OCCOCCOC)OCCOCCOC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960928 |
![12d-Methyl-4b,8b,12b-tris[(methoxyethoxy)ethoxy]-4b,8b12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene](/api/spectrum/C6g8XDKwt5a/structure.png?h=300&w=458 "12d-Methyl-4b,8b,12b-tris[(methoxyethoxy)ethoxy]-4b,8b12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene")
