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(1R,5S)-1-[(1S)-1,5-dimethylhex-4-enyl]bicyclo[3.1.0]hexan-4-one
SpectraBase Compound ID 9SGWn0Q7Jtp
InChI InChI=1S/C14H22O/c1-10(2)5-4-6-11(3)14-8-7-13(15)12(14)9-14/h5,11-12H,4,6-9H2,1-3H3/t11-,12+,14+/m0/s1
InChIKey SUIQTVSDXGWHFH-OUCADQQQSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2vmQ9Edocz
Name (1R,5S)-1-[(1S)-1,5-dimethylhex-4-enyl]bicyclo[3.1.0]hexan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10(2)5-4-6-11(3)14-8-7-13(15)12(14)9-14/h5,11-12H,4,6-9H2,1-3H3/t11-,12+,14+/m0/s1
InChIKey SUIQTVSDXGWHFH-OUCADQQQSA-N
Instrument Name Agilent Technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1021/np200098z
Molecular Weight 206.329 g/mol
Optical Rotation [a]D25 = -20.8 (c = 3.35, CH2Cl2)
SMILES CC(=CCC[C@](C)([C@]12C[C@@]2(C(=O)CC1)[H])[H])C
SPLASH splash10-01bc-9400000000-e7d8dbfc0dbd98c60f22
Source of Spectrum G4-74-1419-12
Wiley ID 1849177