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2-Undecyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
SpectraBase Compound ID 9O1OIuuLnA7
InChI InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-10-11-19-14-12-17-16-18(21(22)23)13-15-20(17)24-19/h13,15-16,19H,2-12,14H2,1H3,(H,22,23)
InChIKey UZXMPQSDKABGKH-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vzJAUouqaH
Name 2-Undecyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
Alternate Name(s) 2-Undecyl-3,4-dihydro-2H-chromene-6-carboxylic acid 2-Undecylchroman-6-carboxylic acid 2-Undecylchromane-6-carboxylic acid
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-2-3-4-5-6-7-8-9-10-11-19-14-12-17-16-18(21(22)23)13-15-20(17)24-19/h13,15-16,19H,2-12,14H2,1H3,(H,22,23)
InChIKey UZXMPQSDKABGKH-UHFFFAOYSA-N
Molecular Weight 332.484 g/mol
SMILES OC(c1ccc2OC(CCc2c1)CCCCCCCCCCC)=O
SPLASH splash10-001i-0908000000-100b7126360f8f6e6db4
Source of Spectrum J-59-5934-6
Wiley ID 1329847