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5-benzyloxy-6,8-dimethoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one
SpectraBase Compound ID KYrsghAMdd3
InChI InChI=1S/C22H23NO4/c1-13-10-16-11-17-18(23(16)22(13)24)19(25-3)14(2)20(26-4)21(17)27-12-15-8-6-5-7-9-15/h5-9,16H,1,10-12H2,2-4H3
InChIKey SMMXCYLRYFSWNH-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C22H23NO4
Exact Mass 365.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZ7bbtly5bh
Name 5-benzyloxy-6,8-dimethoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one
Appearance Yellow sticky solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.162708221 u
Formula C22H23NO4
InChI InChI=1S/C22H23NO4/c1-13-10-16-11-17-18(23(16)22(13)24)19(25-3)14(2)20(26-4)21(17)27-12-15-8-6-5-7-9-15/h5-9,16H,1,10-12H2,2-4H3
InChIKey SMMXCYLRYFSWNH-UHFFFAOYSA-N
Instrument Name Thermo Scientific Orbitrap Fusion system
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701895
Molecular Weight 365.429 g/mol
Quality 95
Reported Formula C22H23O4N
SMILES C1(=C(C2=C(C(=C1C)OC)N1C(C2)CC(C1=O)=C)OCC1=CC=CC=C1)OC
SPLASH splash10-00di-9161000000-132f68ddfd82548446f1
Source of Spectrum ACI-56-SM24-(+ or -)-3c (DOI: 10.1002/anie.201701895)
Thin-Layer Chromatography 0.52 (EtOAc/n-hexane, 2:1)
Wiley ID 1895861