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Methyl 3-(2-bromobenzylidene)-1,3-dihydroisobenzofuran-1-carboxylate
SpectraBase Compound ID LJptPF03ttu
InChI InChI=1S/C17H13BrO3/c1-20-17(19)16-13-8-4-3-7-12(13)15(21-16)10-11-6-2-5-9-14(11)18/h2-10,16H,1H3
InChIKey BWRCGDXEKZFYNT-UHFFFAOYSA-N
Mol Weight 345.19 g/mol
Molecular Formula C17H13BrO3
Exact Mass 344.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KArZIB2rXYA
Name Methyl 3-(2-bromobenzylidene)-1,3-dihydroisobenzofuran-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrO3
InChI InChI=1S/C17H13BrO3/c1-20-17(19)16-13-8-4-3-7-12(13)15(21-16)10-11-6-2-5-9-14(11)18/h2-10,16H,1H3
InChIKey BWRCGDXEKZFYNT-UHFFFAOYSA-N
Instrument Name VG ZAB-HS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.74
Molecular Weight 345.192 g/mol
Reported Formula C17H13BrO3
SMILES c1cc2c(cc1)C(OC2C(=O)OC)=Cc1c(cccc1)Br
SPLASH splash10-002r-0590000000-a42a82ccfb11e7b1e863
Source of Spectrum BJO-7-635-3b
Wiley ID 1870032