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3-Methoxy-11-methyl-6,7,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 9m3H7i79mC4
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
Mol Weight 278.35 g/mol
Molecular Formula C19H18O2
Exact Mass 278.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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
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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