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2-(3,3-Dimethoxypropyl)-5-isobutyl-3-methylcyclohexa-1,3-diene
SpectraBase Compound ID DrW51iLWV2e
InChI InChI=1S/C16H28O2/c1-12(2)10-14-6-7-15(13(3)11-14)8-9-16(17-4)18-5/h7,11-12,14,16H,6,8-10H2,1-5H3
InChIKey KOCBMUMEWOAWOJ-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFxW3KBLb2R
Name 2-(3,3-Dimethoxypropyl)-5-isobutyl-3-methylcyclohexa-1,3-diene
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
GC Column ZB-1 (20 m x0.18 mm, film thickness 0.18 micrometer)
InChI InChI=1S/C16H28O2/c1-12(2)10-14-6-7-15(13(3)11-14)8-9-16(17-4)18-5/h7,11-12,14,16H,6,8-10H2,1-5H3
InChIKey KOCBMUMEWOAWOJ-UHFFFAOYSA-N
Instrument Name Shimadzu QP 2010
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202300040
Molecular Weight 252.398 g/mol
Quality 259
SMILES COC(CCC1=CCC(C=C1C)CC(C)C)OC
SPLASH splash10-057r-9720000000-455c6fcec5abde80acb1
Source of Spectrum H-106-10-27b (DOI: 10.1002/hlca.202300040)
Wiley ID 1911475