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8-benzyloxy-6-methoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one
SpectraBase Compound ID GECwYTQ8plW
InChI InChI=1S/C21H21NO3/c1-13-9-17-10-16-11-18(24-3)14(2)20(19(16)22(17)21(13)23)25-12-15-7-5-4-6-8-15/h4-8,11,17H,1,9-10,12H2,2-3H3
InChIKey SELZXAGAMZUBHS-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJGx7CYVWpB
Name 8-benzyloxy-6-methoxy-7-methyl-2-methylene-3a,4-dihydro-3H-pyrrolo[1,2-a]indol-1-one
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.152143537 u
Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-13-9-17-10-16-11-18(24-3)14(2)20(19(16)22(17)21(13)23)25-12-15-7-5-4-6-8-15/h4-8,11,17H,1,9-10,12H2,2-3H3
InChIKey SELZXAGAMZUBHS-UHFFFAOYSA-N
Instrument Name Thermo Scientific Orbitrap Fusion system
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701895
Molecular Weight 335.403 g/mol
Quality 62
Reported Formula C21H21O3N
SMILES C1(=CC2=C(C(=C1C)OCC1=CC=CC=C1)N1C(C2)CC(C1=O)=C)OC
SPLASH splash10-0006-9040000000-1a7d380615ba90b759d4
Source of Spectrum ACI-56-SM11-(+ or -)-3a (DOI: 10.1002/anie.201701895)
Thin-Layer Chromatography 0.20 (EtOAc/n-hexane, 1:2)
Wiley ID 1895859