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(1aS,4R,6aR)-4-Octyl-1,1a,2,3,4,5,6,6a-octahydro-cyclopropa[f]indene-1-carboxylic acid
SpectraBase Compound ID BllMtVGetNc
InChI InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-13-9-14-11-16-17(12-15(14)10-13)18(16)19(20)21/h13,16-18H,2-12H2,1H3,(H,20,21)/t13-,16+,17-,18?
InChIKey GKDAOQACQPPWNS-BAIJXWMMSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SIIei2hKz2
Name (1aS,4R,6aR)-4-Octyl-1,1a,2,3,4,5,6,6a-octahydro-cyclopropa[f]indene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-13-9-14-11-16-17(12-15(14)10-13)18(16)19(20)21/h13,16-18H,2-12H2,1H3,(H,20,21)/t13-,16+,17-,18?
InChIKey GKDAOQACQPPWNS-BAIJXWMMSA-N
Molecular Weight 290.447 g/mol
SMILES OC(C1[C@]2([C@@]1(CC1=C(C2)C[C@](CCCCCCCC)(C1)[H])[H])[H])=O
SPLASH splash10-002f-0980000000-ab474819fca90be2ff61
Source of Spectrum C-88-3272-13
Synonyms (1aR,4R)-1,1a,2,3,4,5,6,6a-Octahydro-4-octyl-cyclopropa[f]indene-1-carboxylic Acid (1aR,6aS)-4-octyl-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-1-carboxylic acid
Wiley ID 1590572