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(1R,1aS,4aS,7R,7aR,7bS)-1,7-dimethyl-4-methylene-1-(4-methylpent-3-enyl)-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(1R,1aS,4aS,7R,7aR,7bS)-1,7-dimethyl-4-methylene-1-(4-methylpent-3-enyl)-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
SpectraBase Compound ID 1CEPjAQeTCf
InChI InChI=1S/C20H32/c1-13(2)7-6-12-20(5)17-11-9-14(3)16-10-8-15(4)18(16)19(17)20/h7,15-19H,3,6,8-12H2,1-2,4-5H3/t15-,16-,17+,18-,19-,20-/m1/s1
InChIKey CEHLGENVDATDKI-DAUOMPHXSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsdoIgstt1K
Name (1R,1as,4as,7R,7ar,7bs)-1,7-Dimethyl-4-methylene-1-(4-methylpent-3-enyl)-2,3,4A,5,6,7,7A,7B-octahydro-1ah-cyclopropa[E]azulene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.250401030 u
Formula C20H32
InChI InChI=1S/C20H32/c1-13(2)7-6-12-20(5)17-11-9-14(3)16-10-8-15(4)18(16)19(17)20/h7,15-19H,3,6,8-12H2,1-2,4-5H3/t15-,16-,17+,18-,19-,20-/m1/s1
InChIKey CEHLGENVDATDKI-DAUOMPHXSA-N
Molecular Weight 272.476 g/mol
SMILES [C@@]12([C@@](CCC=C(C)C)(C)[C@]2(CCC([C@@]2([C@]1([C@@](CC2)(C)[H])[H])[H])=C)[H])[H]