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Ethyl 3-(5-phenylthiophen-2-ylcarbonyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
SpectraBase Compound ID GtFhfZ8NdMe
InChI InChI=1S/C26H19NO3S/c1-2-30-26(29)20-16-21(27-15-14-17-8-6-7-11-19(17)24(20)27)25(28)23-13-12-22(31-23)18-9-4-3-5-10-18/h3-16H,2H2,1H3
InChIKey TZLOCEXKWWFVRB-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C26H19NO3S
Exact Mass 425.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Isvv28CaS9h
Name Ethyl 3-(5-phenylthiophen-2-ylcarbonyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
Appearance Orange-yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19NO3S
InChI InChI=1S/C26H19NO3S/c1-2-30-26(29)20-16-21(27-15-14-17-8-6-7-11-19(17)24(20)27)25(28)23-13-12-22(31-23)18-9-4-3-5-10-18/h3-16H,2H2,1H3
InChIKey TZLOCEXKWWFVRB-UHFFFAOYSA-N
Instrument Name Shimadzu GCMQP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2508
Molecular Weight 425.502 g/mol
SMILES c1cc2c(cc1)-c1[n](C=C2)c(cc1C(OCC)=O)C(c1ccc(s1)-c1ccccc1)=O
SPLASH splash10-03fu-2900000000-8b2f2d41d7f45a317f9c
Source of Spectrum Y-53-1933-12
Wiley ID 1876706