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5-Cyclohexylhex-4-enal
SpectraBase Compound ID 7nD6W4H9CDN
InChI InChI=1S/C12H20O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h7,10,12H,2-6,8-9H2,1H3
InChIKey MNZTVWVIAUENPA-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cDa4At2Zjs
Name 5-Cyclohexylhex-4-enal
Appearance Colorless oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h7,10,12H,2-6,8-9H2,1H3
InChIKey MNZTVWVIAUENPA-UHFFFAOYSA-N
Instrument Name Agilent 5975C-7890A
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200671
Molecular Weight 180.291 g/mol
Reported Formula C12H20O
SMILES C1(C(=CCCC=O)C)CCCCC1
SPLASH splash10-05nb-9200000000-7e76504d2fa2fccf3ba4
Sample Comments E/Z = 86:14
Source of Spectrum CCC-14-SM6-2g
Wiley ID 1876126