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RKGCTEFQTMJNIN-KNTRFNDTSA-N

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

RKGCTEFQTMJNIN-KNTRFNDTSA-N
SpectraBase Compound ID CAZNcK20JXT
InChI InChI=1S/C20H30O/c1-17(2)8-5-9-19(4)15(17)7-6-14-12-16(21)18(3)10-11-20(14,19)13-18/h12,15H,5-11,13H2,1-4H3/t15-,18-,19-,20-/m0/s1
InChIKey RKGCTEFQTMJNIN-KNTRFNDTSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlAiMbAXIAr
Name 8(14)-Scopadulen-13-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O
InChI InChI=1S/C20H30O/c1-17(2)8-5-9-19(4)15(17)7-6-14-12-16(21)18(3)10-11-20(14,19)13-18/h12,15H,5-11,13H2,1-4H3/t15-,18-,19-,20-/m0/s1
InChIKey RKGCTEFQTMJNIN-KNTRFNDTSA-N
Molecular Weight 286.459 g/mol
SMILES [C@@]123[C@@]4([C@@](C(C)(C)CCC4)([H])CCC1=CC([C@@](C2)(C)CC3)=O)C
SPLASH splash10-000i-0090000000-fb2c794e7ba32b182772
Source of Spectrum J-65-845-10
Wiley ID 1532166