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Azocine, 1,2,3,4,7,8-hexahydro-
SpectraBase Compound ID 48Assvm2kVV
InChI InChI=1S/C7H13N/c1-2-4-6-8-7-5-3-1/h1-2,8H,3-7H2/b2-1-
InChIKey BQOQTXOXUCYFIK-UPHRSURJSA-N
Mol Weight 111.19 g/mol
Molecular Formula C7H13N
Exact Mass 111.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf0xfQVuHs3
Name Azocine, 1,2,3,4,7,8-hexahydro-
CAS Registry Number 57502-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13N
InChI InChI=1S/C7H13N/c1-2-4-6-8-7-5-3-1/h1-2,8H,3-7H2/b2-1-
InChIKey BQOQTXOXUCYFIK-UPHRSURJSA-N
Molecular Weight 111.188 g/mol
SMILES N1CCC\C=C/CC1
SPLASH splash10-0536-9100000000-f294613f5c635559aae1
Source of Spectrum J-44-289-0
Synonyms (5Z)-1,2,3,4,7,8-hexahydroazocine 1,2,3,4,7,8-Hexahydroazocine
Wiley ID 1122896