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2-Hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid heptyl ester
SpectraBase Compound ID B26ZDOjaQbM
InChI InChI=1S/C23H36O3/c1-3-5-7-9-11-17-25-23(24)20-14-16-22-19(18-20)13-15-21(26-22)12-10-8-6-4-2/h14,16,18,21H,3-13,15,17H2,1-2H3
InChIKey RKRZVDJTZXEBGZ-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LicI4RbByUA
Name 2-Hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid heptyl ester
Alternate Name(s) 2-Hexylchroman-6-carboxylic acid heptyl ester Heptyl 2-hexyl-3,4-dihydro-2H-chromene-6-carboxylate Heptyl 2-hexylchromane-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-3-5-7-9-11-17-25-23(24)20-14-16-22-19(18-20)13-15-21(26-22)12-10-8-6-4-2/h14,16,18,21H,3-13,15,17H2,1-2H3
InChIKey RKRZVDJTZXEBGZ-UHFFFAOYSA-N
Molecular Weight 360.538 g/mol
SMILES c12OC(CCc2cc(C(=O)OCCCCCCC)cc1)CCCCCC
SPLASH splash10-03di-0059000000-ae76d7c03b2ee965c85e
Source of Spectrum J-59-5935-7
Wiley ID 1348671