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Pyrrolo[2,3-b]indole-1(2H)-carboxylic acid, 3,3a,8,8a-tetrahydro-3a-hydroperoxy-, methyl ester
SpectraBase Compound ID IIva50MWc03
InChI InChI=1S/C12H14N2O4/c1-17-11(15)14-7-6-12(18-16)8-4-2-3-5-9(8)13-10(12)14/h2-5,10,13,16H,6-7H2,1H3
InChIKey PSLWLQVTNAZGQO-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C12H14N2O4
Exact Mass 250.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lWl0094kvy
Name Pyrrolo[2,3-b]indole-1(2H)-carboxylic acid, 3,3a,8,8a-tetrahydro-3a-hydroperoxy-, methyl ester
Alternate Name(s) 1-Methoxycarbonyl-3a-hydroperoxy-1,2,3,3a,8,8a-hexahydropyrrolo(2,3-b)indole Methyl 3a-hydroperoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carboxylate
CAS Registry Number 58635-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O4
InChI InChI=1S/C12H14N2O4/c1-17-11(15)14-7-6-12(18-16)8-4-2-3-5-9(8)13-10(12)14/h2-5,10,13,16H,6-7H2,1H3
InChIKey PSLWLQVTNAZGQO-UHFFFAOYSA-N
Molecular Weight 250.254 g/mol
SMILES N1c2ccccc2C2(OO)C1N(C(=O)OC)CC2
SPLASH splash10-001i-0590000000-c635a861bee300349693
Source of Spectrum C-99-4427-0
Wiley ID 1252959