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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 BTpbO5V8SDh
Name 3-chloroaniline
Copyright Copyright © 2020-2024 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 Agilent 7890A-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201805022
Molecular Weight 127.574 g/mol
Quality 665
SMILES NC=1C=C(C=CC1)Cl
SPLASH splash10-004i-9800000000-f4ab33a7640ffe6ee2c0
Source of Spectrum ACI-57-SM45-45-1 (DOI: 10.1002/anie.201805022)
Wiley ID 1893269