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(1S,2R)-2-benzyl-7-methyl-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
SpectraBase Compound ID 7ID1YULqLke
InChI InChI=1S/C20H18N2O3/c1-13-7-8-18-15(9-13)11-19-17(12-21(24)25)16(20(23)22(18)19)10-14-5-3-2-4-6-14/h2-9,11,16-17H,10,12H2,1H3/t16-,17-/m1/s1
InChIKey OQBVYCJEGGYEBI-IAGOWNOFSA-N
Mol Weight 334.38 g/mol
Molecular Formula C20H18N2O3
Exact Mass 334.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAfu6Eb3cIv
Name (1S,2R)-2-benzyl-7-methyl-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
Alternate Name(s) (1S,2R)-2-benzyl-7-methyl-1-(nitromethyl)-1,2-dihydro-3H-pyrrolo[1,2-a]indol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O3
InChI InChI=1S/C20H18N2O3/c1-13-7-8-18-15(9-13)11-19-17(12-21(24)25)16(20(23)22(18)19)10-14-5-3-2-4-6-14/h2-9,11,16-17H,10,12H2,1H3/t16-,17-/m1/s1
InChIKey OQBVYCJEGGYEBI-IAGOWNOFSA-N
Literature Reference DOI 10.1002/anie.201305957
Molecular Weight 334.375 g/mol
SMILES c1(ccc2[n]3c([C@@]([C@@](Cc4ccccc4)(C3=O)[H])(C[N+](=O)[O-])[H])cc2c1)C
SPLASH splash10-001r-0059000000-3e31d3613ab125341902
Source of Spectrum ACI-52-SM-3c
Wiley ID 1781869