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3-Methyl-5-nitro-1H-indole
SpectraBase Compound ID 2WSUWhLIJLK
InChI InChI=1S/C9H8N2O2/c1-6-5-10-9-3-2-7(11(12)13)4-8(6)9/h2-5,10H,1H3
InChIKey LPFQDJBJGFUMRG-UHFFFAOYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C9H8N2O2
Exact Mass 176.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRM0RlodXQ7
Name 3-Methyl-5-nitro-1H-indole
Alternate Name(s) 5-Nitro-3-methylindole 3-Methyl-5-nitroindole
CAS Registry Number 61861-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2
InChI InChI=1S/C9H8N2O2/c1-6-5-10-9-3-2-7(11(12)13)4-8(6)9/h2-5,10H,1H3
InChIKey LPFQDJBJGFUMRG-UHFFFAOYSA-N
Molecular Weight 176.175 g/mol
SMILES [nH]1c2ccc(cc2c(c1)C)N(=O)=O
SPLASH splash10-004i-7900000000-13db4583868a0c685e1d
Source of Spectrum SS-3-6-0
Wiley ID 1172118