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2-allyl-5-methyl-hexa-3,4-dienoic acid methyl ester
SpectraBase Compound ID Ko7LpNCFPo3
InChI InChI=1S/C11H16O2/c1-5-6-10(11(12)13-4)8-7-9(2)3/h5,8,10H,1,6H2,2-4H3
InChIKey NCKUEORLPKTRMY-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGV3PYVr7Im
Name 2-allyl-5-methyl-hexa-3,4-dienoic acid methyl ester
Alternate Name(s) 5-methyl-2-prop-2-enylhexa-3,4-dienoic acid methyl ester methyl 2-allyl-5-methyl-hexa-3,4-dienoate methyl 5-methyl-2-prop-2-enyl-hexa-3,4-dienoate
Comments Less than 3 mono-isotopic peaks
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Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-5-6-10(11(12)13-4)8-7-9(2)3/h5,8,10H,1,6H2,2-4H3
InChIKey NCKUEORLPKTRMY-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES C(=C=C(C)C)C(C(=O)OC)CC=C
SPLASH splash10-004i-0900000000-d883d6f1c8f2a86815ab
Source of Spectrum U-1997-727-4
Wiley ID 769562