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E-Caprolactam
SpectraBase Compound ID 9A4DhXH6ISU
InChI InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Mol Weight 113.16 g/mol
Molecular Formula C6H11NO
Exact Mass 113.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8WcAHx7pDr
Name Caprolactam
CAS Registry Number 105-60-2
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 113.084063977 u
Formula C6H11NO
InChI InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 113.160 g/mol
Nominal Mass 113 u
Quality 720
Retention Index 920
SMILES C1(NCCCCC1)=O
SPLASH splash10-0bt9-9300000000-c57f0fb16d23cb3c0cab
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Azepan-2-one
Technique GC/MS
Wiley ID DD2024_000431