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4-Nitrotoluene
SpectraBase Compound ID Is0v2TNiaOj
InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C7H7NO2
Exact Mass 137.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgUtMBaFNFC
Name Benzene, 1-methyl-4-nitro-
Alternate Name(s) 1-Methyl-4-nitro-benzene 4-Methylnitrobenzene 4-Nitrotoluene 4-Nitrotoluol Nitrotoluene, p- Nitrotoluene, p-isomer Nitrotoluenos p-Methylnitrobenzene Para-nitrotoluol PNT Toluene, p-nitro- AI3-15394 CCRIS 2313 EINECS 202-808-0 HSDB 1158 NCI-C60537 NSC 9579 P-NITROTOLUENE, LIQUID OR SOLID
CAS Registry Number 99-99-0
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Formula C7H7NO2
InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey ZPTVNYMJQHSSEA-UHFFFAOYSA-N
Molecular Weight 137.138 g/mol
SMILES c1(N(=O)=O)ccc(C)cc1
SPLASH splash10-00ku-9100000000-e8eef7a2a45a2609f238
Source of Spectrum HE-1982-0-0
Wiley ID 1137189