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2-Heptyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
SpectraBase Compound ID DWSS7iJTLJQ
InChI InChI=1S/C17H24O3/c1-2-3-4-5-6-7-15-10-8-13-12-14(17(18)19)9-11-16(13)20-15/h9,11-12,15H,2-8,10H2,1H3,(H,18,19)
InChIKey NHMXCJOQHZZFPV-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAm5gEBczvZ
Name 2-Heptyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
Alternate Name(s) 2-Heptyl-3,4-dihydro-2H-chromene-6-carboxylic acid 2-Heptylchroman-6-carboxylic acid 2-Heptylchromane-6-carboxylic acid
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Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-2-3-4-5-6-7-15-10-8-13-12-14(17(18)19)9-11-16(13)20-15/h9,11-12,15H,2-8,10H2,1H3,(H,18,19)
InChIKey NHMXCJOQHZZFPV-UHFFFAOYSA-N
Molecular Weight 276.376 g/mol
SMILES OC(c1ccc2OC(CCc2c1)CCCCCCC)=O
SPLASH splash10-0fb9-0940000000-f7d26895a7f75f59f642
Source of Spectrum J-59-5934-6
Wiley ID 1280376