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3,6-dioxo-5-(phenylmethyl)-2-pyrano[2,3-c]isoquinolinecarboxylic acid ethyl ester
SpectraBase Compound ID DX1vfvG75yi
InChI InChI=1S/C22H17NO5/c1-2-27-21(25)18-12-17-15-10-6-7-11-16(15)19(24)23(20(17)28-22(18)26)13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3
InChIKey AKNZHCWWGVHBQJ-UHFFFAOYSA-N
Mol Weight 375.38 g/mol
Molecular Formula C22H17NO5
Exact Mass 375.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUSDJ8z2gRN
Name 3,6-dioxo-5-(phenylmethyl)-2-pyrano[2,3-c]isoquinolinecarboxylic acid ethyl ester
Alternate Name(s) 5-benzyl-3,6-diketo-pyran[2,3-c]isoquinoline-2-carboxylic acid ethyl ester ethyl 3,6-bis(oxidanylidene)-5-(phenylmethyl)pyrano[2,3-c]isoquinoline-2-carboxylate ethyl 5-benzyl-3,6-dioxo-pyrano[2,3-c]isoquinoline-2-carboxylate
CAS Registry Number 143370-36-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17NO5
InChI InChI=1S/C22H17NO5/c1-2-27-21(25)18-12-17-15-10-6-7-11-16(15)19(24)23(20(17)28-22(18)26)13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3
InChIKey AKNZHCWWGVHBQJ-UHFFFAOYSA-N
Molecular Weight 375.380 g/mol
SMILES C1=2N(C(=O)c3c(C2C=C(C(O1)=O)C(=O)OCC)cccc3)Cc1ccccc1
SPLASH splash10-0006-9003000000-9425b9c2d64487c4eead
Source of Spectrum J-57-5914-9
Wiley ID 1357247