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1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.alpha.,7a.beta.,7b.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.alpha.,7a.beta.,7b.alpha.)]-
SpectraBase Compound ID JQmFcjkfqOT
InChI InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,11-14H,1,6-8H2,2-4H3/t11-,12+,13+,14+/m0/s1
InChIKey HDUMORZKKNOYSS-REWJHTLYSA-N
Mol Weight 202.34 g/mol
Molecular Formula C15H22
Exact Mass 202.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBAZU1OKjdj
Name 1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,7a,7b-octahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.alpha.,7a.beta.,7b.alpha.)]-
Alternate Name(s) (1aR,4aR,7aR,7bR)-1,1,7-trimethyl-4-methylene-1a,2,3,4,4a,5,7a,7b-octahydro-1H-cyclopropa[e]azulene .beta.-spathulene
CAS Registry Number 53526-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22
InChI InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,11-14H,1,6-8H2,2-4H3/t11-,12+,13+,14+/m0/s1
InChIKey HDUMORZKKNOYSS-REWJHTLYSA-N
Molecular Weight 202.341 g/mol
SMILES [C@@]12(C(C)(C)[C@@]2(CCC([C@]2([C@]1(C(=CC2)C)[H])[H])=C)[H])[H]
SPLASH splash10-0a4i-0910000000-4ff3badc61fb6c17565e
Source of Spectrum F-34-2506-8
Wiley ID 1200431