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8-Methyl-3-propionyl-4-n-propyl-1H-isochromen-1-one
SpectraBase Compound ID 3HKVZvD6K9d
InChI InChI=1S/C16H18O3/c1-4-7-12-11-9-6-8-10(3)14(11)16(18)19-15(12)13(17)5-2/h6,8-9H,4-5,7H2,1-3H3
InChIKey KJDXVXZMULXKTG-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FxUcw5Ok2q
Name 8-Methyl-3-propionyl-4-n-propyl-1H-isochromen-1-one
Alternate Name(s) 8-Methyl-3-propionyl-4-propyl-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-4-7-12-11-9-6-8-10(3)14(11)16(18)19-15(12)13(17)5-2/h6,8-9H,4-5,7H2,1-3H3
InChIKey KJDXVXZMULXKTG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 258.317 g/mol
SMILES c1ccc2c(c1C)C(OC(=C2CCC)C(CC)=O)=O
SPLASH splash10-0udi-1890000000-be00a881f0769f3e9619
Source of Spectrum ACI-54-5513/SMS10-3ac'
Wiley ID 1761144