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(1S,2R)-2-benzyl-7-bromo-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
SpectraBase Compound ID E6vNBpjiUBP
InChI InChI=1S/C19H15BrN2O3/c20-14-6-7-17-13(9-14)10-18-16(11-21(24)25)15(19(23)22(17)18)8-12-4-2-1-3-5-12/h1-7,9-10,15-16H,8,11H2/t15-,16-/m1/s1
InChIKey JZKPZGLABFHYNJ-HZPDHXFCSA-N
Mol Weight 399.24 g/mol
Molecular Formula C19H15BrN2O3
Exact Mass 398.026605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiToGqBQAzC
Name (1S,2R)-2-benzyl-7-bromo-1-(nitromethyl)-1H-pyrrolo[1,2-a]indol-3(2H)-one
Alternate Name(s) (1S,2R)-2-benzyl-7-bromo-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 C19H15BrN2O3
InChI InChI=1S/C19H15BrN2O3/c20-14-6-7-17-13(9-14)10-18-16(11-21(24)25)15(19(23)22(17)18)8-12-4-2-1-3-5-12/h1-7,9-10,15-16H,8,11H2/t15-,16-/m1/s1
InChIKey JZKPZGLABFHYNJ-HZPDHXFCSA-N
Molecular Weight 399.244 g/mol
SMILES c1(ccc2[n]3c([C@@]([C@@](Cc4ccccc4)(C3=O)[H])(C[N+](=O)[O-])[H])cc2c1)Br
SPLASH splash10-0udi-0039300000-d2b0cc400c21b51580da
Source of Spectrum ACI-52-SM-3h
Wiley ID 1781871