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Ethyl 6-Hexylbenzotropo-7-one-8-carboxylate
SpectraBase Compound ID EhAHxeenOBc
InChI InChI=1S/C20H24O3/c1-3-5-6-7-12-17-13-15-10-8-9-11-16(15)14-18(19(17)21)20(22)23-4-2/h8-11,13-14H,3-7,12H2,1-2H3
InChIKey DGQQASGSZDAOLU-UHFFFAOYSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8vbRGRJaNq
Name Ethyl 6-Hexylbenzotropo-7-one-8-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-3-5-6-7-12-17-13-15-10-8-9-11-16(15)14-18(19(17)21)20(22)23-4-2/h8-11,13-14H,3-7,12H2,1-2H3
InChIKey DGQQASGSZDAOLU-UHFFFAOYSA-N
Molecular Weight 312.409 g/mol
SMILES C=1(C(C(=Cc2c(C1)cccc2)CCCCCC)=O)C(=O)OCC
SPLASH splash10-001i-0591000000-dd82bb598dc5dfaefe55
Source of Spectrum F-69-3421-3
Synonyms Ethyl 7-Hexylbenzotropone-2-carboxylate Ethyl 8-hexyl-7-oxo-7H-benzo[a]cycloheptene-6-carboxylate
Wiley ID 1595056