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2-Ethyl-4a,9-dimethyl-1,2,3,4,4a,5,6,14b-octahydropicene
SpectraBase Compound ID JnuXwTDwjY4
InChI InChI=1S/C26H30/c1-4-18-12-14-26(3)15-13-23-22-9-8-19-17(2)6-5-7-20(19)21(22)10-11-24(23)25(26)16-18/h5-11,18,25H,4,12-16H2,1-3H3
InChIKey XUPSFEUGDHIXLB-UHFFFAOYSA-N
Mol Weight 342.53 g/mol
Molecular Formula C26H30
Exact Mass 342.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E796GIbp2m0
Name 2-Ethyl-4a,9-dimethyl-1,2,3,4,4a,5,6,14b-octahydropicene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30
InChI InChI=1S/C26H30/c1-4-18-12-14-26(3)15-13-23-22-9-8-19-17(2)6-5-7-20(19)21(22)10-11-24(23)25(26)16-18/h5-11,18,25H,4,12-16H2,1-3H3
InChIKey XUPSFEUGDHIXLB-UHFFFAOYSA-N
Molecular Weight 342.526 g/mol
SMILES c1cc(c2c(c1)c1c(cc2)c2c(cc1)C1C(CC2)(CCC(C1)CC)C)C
SPLASH splash10-0006-0296000000-fbdd23ebbfa12a8d8761
Source of Spectrum Jeremy Jacob, et al. Organic Geochemistry, V. 38, 2007, P.180-197
Wiley ID 1817455