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1H-Indene-4-acetaldehyde, 1-(1,5-dimethylhexyl)-2,3,3a,4,7,7a-hexahydro-7a-methyl-, [1R-[1.alpha.(R*),3a.beta.,4.beta.,7a.alpha.]]-
SpectraBase Compound ID LqE7CgTayav
InChI InChI=1S/C20H34O/c1-15(2)7-5-8-16(3)18-10-11-19-17(12-14-21)9-6-13-20(18,19)4/h6,9,14-19H,5,7-8,10-13H2,1-4H3/t16?,17-,18-,19-,20+/m1/s1
InChIKey ICBSNPFIIAYJON-MFJHFAHRSA-N
Mol Weight 290.5 g/mol
Molecular Formula C20H34O
Exact Mass 290.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuTR1MjC7P6
Name 1H-Indene-4-acetaldehyde, 1-(1,5-dimethylhexyl)-2,3,3a,4,7,7a-hexahydro-7a-methyl-, [1R-[1.alpha.(R*),3a.beta.,4.beta.,7a.alpha.]]-
CAS Registry Number 105395-40-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O
InChI InChI=1S/C20H34O/c1-15(2)7-5-8-16(3)18-10-11-19-17(12-14-21)9-6-13-20(18,19)4/h6,9,14-19H,5,7-8,10-13H2,1-4H3/t16?,17-,18-,19-,20+/m1/s1
InChIKey ICBSNPFIIAYJON-MFJHFAHRSA-N
Molecular Weight 290.491 g/mol
SMILES [C@@]12([C@](CC[C@@]2(C(CCCC(C)C)C)[H])([C@@](CC=O)(C=CC1)[H])[H])C
SPLASH splash10-001i-0940000000-7c46ba578734e8764981
Source of Spectrum I-66-1215-14
Synonyms [(1R,3aR,4S,7aS)-1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]acetaldehyde [1r,4R,7aR)-1-(1S,5-dimethylhexyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]acetaldehyde
Wiley ID 1294204