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3-Chloroaniline

View entire compound with spectra: 22 NMR, 11 FTIR, 1 Raman, 1 UV-Vis, 15 MS (GC), and 2 Near IR

3-Chloroaniline
SpectraBase Compound ID 6fWOF7Epb2A
InChI InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey PNPCRKVUWYDDST-UHFFFAOYSA-N
Mol Weight 127.57 g/mol
Molecular Formula C6H6ClN
Exact Mass 127.018877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VaRAYEWDEx
Name 3-chloroaniline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 127.018876897 u
Formula C6H6ClN
InChI InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey PNPCRKVUWYDDST-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202003640
Molecular Weight 127.574 g/mol
Quality 566
SMILES NC=1C=C(C=CC1)Cl
SPLASH splash10-00kf-9000000000-6acc4a3e4d4ba21580dc
Source of Spectrum QE-27-SM4-2c (DOI: 10.1002/chem.202003640)
Wiley ID 1904324