| SpectraBase Spectrum ID |
1JwAsPdz6NQ |
| Name |
2,8-Chrysenediol, 4B,5,6,10B,11,12-hexahydro-11,11-dimethyl-, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.161979946 u |
| Formula |
C20H22O2 |
| InChI |
InChI=1S/C20H22O2/c1-20(2)11-13-10-15(22)4-7-16(13)18-6-3-12-9-14(21)5-8-17(12)19(18)20/h4-5,7-10,18-19,21-22H,3,6,11H2,1-2H3/t18-,19-/m1/s1 |
| InChIKey |
NNJDTHNQPMAGDF-RTBURBONSA-N |
| SMILES |
[C@]12([C@](C(C)(C)CC=3C2=CC=C(O)C3)(C=2C=CC(=CC2CC1)O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842829 |
