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Ethyl 6-Heptylbenzotropo-7-one-8-carboxylate
SpectraBase Compound ID 6DSjn6Emew5
InChI InChI=1S/C21H26O3/c1-3-5-6-7-8-13-18-14-16-11-9-10-12-17(16)15-19(20(18)22)21(23)24-4-2/h9-12,14-15H,3-8,13H2,1-2H3
InChIKey IMDFEWNBDXWVQJ-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22L2ppRGMGM
Name Ethyl 6-Heptylbenzotropo-7-one-8-carboxylate
Alternate Name(s) Ethyl 7-Heptylbenzotropone-2-carboxylate Ethyl 8-heptyl-7-oxo-7H-benzo[a]cycloheptene-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-3-5-6-7-8-13-18-14-16-11-9-10-12-17(16)15-19(20(18)22)21(23)24-4-2/h9-12,14-15H,3-8,13H2,1-2H3
InChIKey IMDFEWNBDXWVQJ-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C=1(C(C(=Cc2c(C1)cccc2)CCCCCCC)=O)C(=O)OCC
SPLASH splash10-004i-9230000000-71ce367263bcc1167c9f
Source of Spectrum F-69-3421-3
Wiley ID 1595055