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Isoquinolinium diethoxycarbonyl-methylide
SpectraBase Compound ID CfOAtHg1Y71
InChI InChI=1S/C16H17NO4/c1-3-20-15(18)14(16(19)21-4-2)17-10-9-12-7-5-6-8-13(12)11-17/h5-11H,3-4H2,1-2H3
InChIKey MPHCKXSPBPQECL-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hw9soxcwnm
Name Isoquinolinium diethoxycarbonyl-methylide
CAS Registry Number 17870-66-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-3-20-15(18)14(16(19)21-4-2)17-10-9-12-7-5-6-8-13(12)11-17/h5-11H,3-4H2,1-2H3
InChIKey MPHCKXSPBPQECL-UHFFFAOYSA-N
Molecular Weight 287.315 g/mol
SMILES [C-]([n+]1cc2ccccc2cc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-002f-2910000000-efa98f2b832cfd4963af
Source of Spectrum O-19-286-3
Wiley ID 1290812