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4-Methoxy-12a-methyl-1,2,3,5,6,11,12,12a-octahydrochrysene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Methoxy-12a-methyl-1,2,3,5,6,11,12,12a-octahydrochrysene
SpectraBase Compound ID 3bvqOsw4l4c
InChI InChI=1S/C20H24O/c1-20-12-5-8-18(21-2)19(20)17-10-9-14-6-3-4-7-15(14)16(17)11-13-20/h3-4,6-7H,5,8-13H2,1-2H3
InChIKey GGJIWNIPQCLOTF-UHFFFAOYSA-N
Mol Weight 280.41 g/mol
Molecular Formula C20H24O
Exact Mass 280.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6TwSBwlDd46
Name 4-Methoxy-12A-methyl-1,2,3,5,6,11,12,12A-octahydrochrysene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.182715392 u
Formula C20H24O
InChI InChI=1S/C20H24O/c1-20-12-5-8-18(21-2)19(20)17-10-9-14-6-3-4-7-15(14)16(17)11-13-20/h3-4,6-7H,5,8-13H2,1-2H3
InChIKey GGJIWNIPQCLOTF-UHFFFAOYSA-N
SMILES C1CCC(=C2C=3CCC=4C=CC=CC4C3CCC12C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844062