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(1S,2R)-2-benzyl-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
SpectraBase Compound ID 5m1S9YPV52P
InChI InChI=1S/C19H16N2O3/c22-19-15(10-13-6-2-1-3-7-13)16(12-20(23)24)18-11-14-8-4-5-9-17(14)21(18)19/h1-9,11,15-16H,10,12H2/t15-,16-/m1/s1
InChIKey DBPBVDHMHOAZPH-HZPDHXFCSA-N
Mol Weight 320.35 g/mol
Molecular Formula C19H16N2O3
Exact Mass 320.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BP5HC1Luhzw
Name (1S,2R)-2-benzyl-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
Alternate Name(s) (1S,2R)-2-benzyl-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 C19H16N2O3
InChI InChI=1S/C19H16N2O3/c22-19-15(10-13-6-2-1-3-7-13)16(12-20(23)24)18-11-14-8-4-5-9-17(14)21(18)19/h1-9,11,15-16H,10,12H2/t15-,16-/m1/s1
InChIKey DBPBVDHMHOAZPH-HZPDHXFCSA-N
Literature Reference DOI 10.1002/anie.201305957
Molecular Weight 320.348 g/mol
SMILES c1ccc2[n]3c([C@@]([C@](C3=O)(Cc3ccccc3)[H])(C[N+](=O)[O-])[H])cc2c1
SPLASH splash10-00dl-9377000000-9125cf0987c4d126c783
Source of Spectrum ACI-52-SM-3a
Wiley ID 1781867