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p-Chloroaniline
SpectraBase Compound ID EBUbUy4BMwz
InChI InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey QSNSCYSYFYORTR-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 54RYMLtG1vI
Name 4-Chloroaniline
Carrier Gas Helium (1.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 127.018876897 u
Formula C6H6ClN
GC Column HP/5MS (30 m x 0.250 mm, film thickness 0.025 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey QSNSCYSYFYORTR-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo400556g
Molecular Weight 127.574 g/mol
Quality 267
SMILES NC1=CC=C(C=C1)Cl
SPLASH splash10-004i-2900000000-32595a5c4c63e0dac539
Source of Spectrum JOC-78-4540-Table 1, entry 2 (DOI: 10.1021/jo400556g)
Wiley ID 1912564