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(E)-3-[(2-Butyl-2-methoxycarbonyl)methylene]-1-iodomethyl-1-methyl-3H-isobenzofuran
SpectraBase Compound ID DOz7WmcnVTR
InChI InChI=1S/C17H21IO3/c1-4-5-8-13(16(19)20-3)15-12-9-6-7-10-14(12)17(2,11-18)21-15/h6-7,9-10H,4-5,8,11H2,1-3H3/b15-13+
InChIKey GTHBYYWGTXNKJE-FYWRMAATSA-N
Mol Weight 400.26 g/mol
Molecular Formula C17H21IO3
Exact Mass 400.05354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8SsJv7Msf5
Name (E)-3-[(2-Butyl-2-methoxycarbonyl)methylene]-1-iodomethyl-1-methyl-3H-isobenzofuran
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21IO3
InChI InChI=1S/C17H21IO3/c1-4-5-8-13(16(19)20-3)15-12-9-6-7-10-14(12)17(2,11-18)21-15/h6-7,9-10H,4-5,8,11H2,1-3H3/b15-13+
InChIKey GTHBYYWGTXNKJE-FYWRMAATSA-N
Literature Reference DOI 10.1002/adsc.200900436
Molecular Weight 400.256 g/mol
SMILES C1(c2ccccc2\C(=C/(C(=O)OC)CCCC)O1)(C)CI
SPLASH splash10-0a4i-0591000000-215c9a9d940a3782bb8f
Source of Spectrum ASC-351-2431-3h_E
Synonyms (E)-methyl 2-(3-(iodomethyl)-3-methylisobenzofuran-1(3H)-ylidene)hexanoate
Wiley ID 1763467