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2-Hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid

View entire compound with spectra: 1 MS (GC)

2-Hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
SpectraBase Compound ID C4iR0SzhtyG
InChI InChI=1S/C16H22O3/c1-2-3-4-5-6-14-9-7-12-11-13(16(17)18)8-10-15(12)19-14/h8,10-11,14H,2-7,9H2,1H3,(H,17,18)
InChIKey MWHNCFRMPUAOGR-UHFFFAOYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r2EPkhzPlg
Name 2-Hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-2-3-4-5-6-14-9-7-12-11-13(16(17)18)8-10-15(12)19-14/h8,10-11,14H,2-7,9H2,1H3,(H,17,18)
InChIKey MWHNCFRMPUAOGR-UHFFFAOYSA-N
Molecular Weight 262.349 g/mol
SMILES OC(c1ccc2OC(CCc2c1)CCCCCC)=O
SPLASH splash10-0ik9-0940000000-c058f6c53653fb6f4913
Source of Spectrum J-59-5934-6
Synonyms 2-Hexyl-3,4-dihydro-2H-chromene-6-carboxylic acid 2-Hexylchroman-6-carboxylic acid 2-Hexylchromane-6-carboxylic acid
Wiley ID 1266189