| SpectraBase Spectrum ID |
3BBTCm8UcRa |
| Name |
4A.beta.,7-Dimethyl-1,2,3,4,4A,4B.beta.,5,8-octahydro-9(8A.beta.H)-phenanthrenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.167065327 u |
| Formula |
C16H22O |
| InChI |
InChI=1S/C16H22O/c1-11-6-7-14-13(9-11)15(17)10-12-5-3-4-8-16(12,14)2/h6,10,13-14H,3-5,7-9H2,1-2H3/t13-,14+,16-/m0/s1 |
| InChIKey |
WGNHNXLOEACEKQ-LZWOXQAQSA-N |
| Molecular Weight |
230.351 g/mol |
| SMILES |
[C@]12(C(=CC([C@@]3([C@]2(CC=C(C)C3)[H])[H])=O)CCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936152 |
