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3-BENZOYLHYDROUCOUMARIN
SpectraBase Compound ID KmzpQjS30oy
InChI InChI=1S/C16H12O3/c17-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)19-16(13)18/h1-9,13H,10H2
InChIKey YCJKUZAVMIULSV-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C16H12O3
Exact Mass 252.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R1ODT17c8
Name 3-(Phenylcarbonyl)-3,4-dihydrochromen-2-one
Alternate Name(s) 3-Benzoyl-3,4-dihydro-2H-1-benzopyran-2-one 3-Benzoyl-3,4-dihydrochromen-2-one 3-Benzoylchroman-2-one
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Formula C16H12O3
InChI InChI=1S/C16H12O3/c17-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)19-16(13)18/h1-9,13H,10H2
InChIKey YCJKUZAVMIULSV-UHFFFAOYSA-N
Molecular Weight 252.269 g/mol
SMILES C1(Oc2ccccc2CC1C(c1ccccc1)=O)=O
SPLASH splash10-054k-3900000000-b522f2581fe2609db0f3
Source of Spectrum F4-0-773-2
Wiley ID 1619363