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Ethyl (2-methylhepta-2,5-dien-4-yl) carbonate
SpectraBase Compound ID HQbDu1x9KQY
InChI InChI=1S/C11H18O3/c1-5-7-10(8-9(3)4)14-11(12)13-6-2/h5,7-8,10H,6H2,1-4H3
InChIKey XPPLWMSFVNPULK-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jMUSPurMD2
Name Ethyl (2-methylhepta-2,5-dien-4-yl) carbonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.125594437 u
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-5-7-10(8-9(3)4)14-11(12)13-6-2/h5,7-8,10H,6H2,1-4H3
InChIKey XPPLWMSFVNPULK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201394
Molecular Weight 198.262 g/mol
Quality 32
Reported Formula C11H18O3
SMILES C(C)OC(=O)OC(C=C(C)C)C=CC
SPLASH splash10-0zfr-0900000000-ef470c8ddf9ff6d4f3bc
Sample Comments E/Z = 90:10
Source of Spectrum ASC-365-SM14-5f (DOI: 10.1002/adsc.202201394)
Wiley ID 1902783