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(Z)-2-[2-(methylthio)-3-pyrrolo[2,1-a]isoquinolinyl]-2-butenedioic acid dimethyl ester
SpectraBase Compound ID 3k5vsS7X0u1
InChI InChI=1S/C19H17NO4S/c1-23-17(21)10-14(19(22)24-2)18-16(25-3)11-15-13-7-5-4-6-12(13)8-9-20(15)18/h4-11H,1-3H3/b14-10-
InChIKey XGMJLQYYZUBMPU-UVTDQMKNSA-N
Mol Weight 355.41 g/mol
Molecular Formula C19H17NO4S
Exact Mass 355.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IUNuMclJiZ
Name (Z)-2-[2-(methylthio)-3-pyrrolo[2,1-a]isoquinolinyl]-2-butenedioic acid dimethyl ester
CAS Registry Number 123471-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO4S
InChI InChI=1S/C19H17NO4S/c1-23-17(21)10-14(19(22)24-2)18-16(25-3)11-15-13-7-5-4-6-12(13)8-9-20(15)18/h4-11H,1-3H3/b14-10-
InChIKey XGMJLQYYZUBMPU-UVTDQMKNSA-N
Molecular Weight 355.408 g/mol
SMILES c1([n]2c(cc1SC)-c1ccccc1C=C2)\C(=C\C(=O)OC)C(=O)OC
SPLASH splash10-0a5c-0069000000-ee36d388e1fedc3b6894
Source of Spectrum Y-26-486-21
Synonyms (Z)-2-[2-(methylthio)pyrrol[2,1-a]isoquinolin-3-yl]but-2-enedioic acid dimethyl ester Dimethyl (Z)-2-(2-methylsulfanylpyrrolo[2,1-a]isoquinolin-3-yl)but-2-enedioate
Wiley ID 1345210