SpectraBase Spectrum ID |
78N9MZtKkxG |
Name |
3-Methoxy-11-methyl-6,7,15,16-tetrahydrocyclopenta[A]phenanthren-17-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.130679818 u |
Formula |
C19H18O2 |
InChI |
InChI=1S/C19H18O2/c1-11-9-17-15(7-8-18(17)20)16-5-3-12-10-13(21-2)4-6-14(12)19(11)16/h4,6,9-10H,3,5,7-8H2,1-2H3 |
InChIKey |
KLSXXFHVLJRDPF-UHFFFAOYSA-N |
Molecular Weight |
278.351 g/mol |
SMILES |
C1=2C(=C(C)C=C3C2CCC3=O)C=2C=CC(=CC2CC1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829373 |