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(1S,2R)-2-benzyl-7-methoxy-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
SpectraBase Compound ID 9X1HB1QVMrq
InChI InChI=1S/C20H18N2O4/c1-26-15-7-8-18-14(10-15)11-19-17(12-21(24)25)16(20(23)22(18)19)9-13-5-3-2-4-6-13/h2-8,10-11,16-17H,9,12H2,1H3/t16-,17-/m1/s1
InChIKey HXBDAXZDLGBQAQ-IAGOWNOFSA-N
Mol Weight 350.37 g/mol
Molecular Formula C20H18N2O4
Exact Mass 350.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJyIaPZuM61
Name (1S,2R)-2-benzyl-7-methoxy-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
Alternate Name(s) (1S,2R)-2-benzyl-7-methoxy-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 C20H18N2O4
InChI InChI=1S/C20H18N2O4/c1-26-15-7-8-18-14(10-15)11-19-17(12-21(24)25)16(20(23)22(18)19)9-13-5-3-2-4-6-13/h2-8,10-11,16-17H,9,12H2,1H3/t16-,17-/m1/s1
InChIKey HXBDAXZDLGBQAQ-IAGOWNOFSA-N
Literature Reference DOI 10.1002/anie.201305957
Molecular Weight 350.374 g/mol
SMILES c1(ccc2[n]3c([C@](C[N+](=O)[O-])([C@@](Cc4ccccc4)(C3=O)[H])[H])cc2c1)OC
SPLASH splash10-0udi-0009000000-fb45a89dfa40839f0733
Source of Spectrum ACI-52-SM-3b
Wiley ID 1781868