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6-Bromo-7-methoxy-2,2-diphenylbenzo[1,3]dioxole-5-carbxylic acid ethyl ester
SpectraBase Compound ID BIPT6LRAOpQ
InChI InChI=1S/C22H17BrO5/c1-25-20-18(23)16(21(24)26-2)13-17-19(20)28-22(27-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKey SBERKICCFFNPNA-UHFFFAOYSA-N
Mol Weight 441.28 g/mol
Molecular Formula C22H17BrO5
Exact Mass 440.025937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QZPeA2IcTL
Name 6-Bromo-7-methoxy-2,2-diphenylbenzo[1,3]dioxole-5-carbxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrO5
InChI InChI=1S/C22H17BrO5/c1-25-20-18(23)16(21(24)26-2)13-17-19(20)28-22(27-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKey SBERKICCFFNPNA-UHFFFAOYSA-N
Molecular Weight 441.277 g/mol
SMILES C1(Oc2c(c(Br)c(cc2O1)C(=O)OC)OC)(c1ccccc1)c1ccccc1
SPLASH splash10-00kf-0105900000-5def7648a49572238e17
Source of Spectrum F-65-8359-16
Wiley ID 1679527