| SpectraBase Spectrum ID |
83sYf595OBR |
| Name |
Chrysene, 4B,5,6,10B,11,12-hexahydro-2,8-dimethoxy-5,5-dimethyl-, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.193280075 u |
| Formula |
C22H26O2 |
| InChI |
InChI=1S/C22H26O2/c1-22(2)13-15-12-17(24-4)6-9-18(15)20-8-5-14-11-16(23-3)7-10-19(14)21(20)22/h6-7,9-12,20-21H,5,8,13H2,1-4H3/t20-,21-/m1/s1 |
| InChIKey |
IEGWZQIGPZOBSA-NHCUHLMSSA-N |
| Molecular Weight |
322.448 g/mol |
| SMILES |
[C@]12([C@](C(C)(C)CC3=C2C=CC(OC)=C3)(C2=CC=C(C=C2CC1)OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914369 |
