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5,6,7,8-Tetrahydro-3-propylisocumarin
SpectraBase Compound ID 2KsiCmK5mTM
InChI InChI=1S/C12H16O2/c1-2-5-10-8-9-6-3-4-7-11(9)12(13)14-10/h8H,2-7H2,1H3
InChIKey FSHRJAHMEDCWMQ-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C62oerTFsnl
Name 5,6,7,8-Tetrahydro-3-propylisocumarin
Alternate Name(s) 3-propyl-5,6,7,8-tetrahydro-1H-2-benzopyran-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-2-5-10-8-9-6-3-4-7-11(9)12(13)14-10/h8H,2-7H2,1H3
InChIKey FSHRJAHMEDCWMQ-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES C1(=O)OC(=CC=2CCCCC12)CCC
SPLASH splash10-000i-0900000000-72ade05f2b0696727700
Source of Spectrum H1-41-2597-9
Wiley ID 757359