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(1S,2R)-2-butyl-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
SpectraBase Compound ID EgzF0R33DKG
InChI InChI=1S/C16H18N2O3/c1-2-3-7-12-13(10-17(20)21)15-9-11-6-4-5-8-14(11)18(15)16(12)19/h4-6,8-9,12-13H,2-3,7,10H2,1H3/t12-,13-/m1/s1
InChIKey VQJCLCBSLHMOMT-CHWSQXEVSA-N
Mol Weight 286.33 g/mol
Molecular Formula C16H18N2O3
Exact Mass 286.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPvYVeum6Ts
Name (1S,2R)-2-butyl-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O3
InChI InChI=1S/C16H18N2O3/c1-2-3-7-12-13(10-17(20)21)15-9-11-6-4-5-8-14(11)18(15)16(12)19/h4-6,8-9,12-13H,2-3,7,10H2,1H3/t12-,13-/m1/s1
InChIKey VQJCLCBSLHMOMT-CHWSQXEVSA-N
Literature Reference DOI 10.1002/anie.201305957
Molecular Weight 286.331 g/mol
SMILES c1c2c([n]3c1[C@@]([C@@](CCCC)(C3=O)[H])(C[N+](=O)[O-])[H])cccc2
SPLASH splash10-001r-7980000000-92b50f899a59945cfd28
Source of Spectrum ACI-52-SM-3l
Synonyms (1S,2R)-2-butyl-1-(nitromethyl)-1,2-dihydro-3H-pyrrolo[1,2-a]indol-3-one
Wiley ID 1781875