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3,5-Methano-2,3,4,5(1H)-tetrahydrobenzo(b)azepine
SpectraBase Compound ID L0OlKzfIHIa
InChI InChI=1S/C11H13N/c1-2-4-11-10(3-1)9-5-8(6-9)7-12-11/h1-4,8-9,12H,5-7H2/t8-,9+
InChIKey CHGFVFJOZXPPDI-DTORHVGOSA-N
Mol Weight 159.23 g/mol
Molecular Formula C11H13N
Exact Mass 159.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQJqonydWcR
Name 3,5-Methano-2,3,4,5(1H)-tetrahydrobenzo(b)azepine
Alternate Name(s) 3,5-Methano-2,3,4,5-tetrahydro-1H-2-benzazepine
CAS Registry Number 94641-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N
InChI InChI=1S/C11H13N/c1-2-4-11-10(3-1)9-5-8(6-9)7-12-11/h1-4,8-9,12H,5-7H2/t8-,9+
InChIKey CHGFVFJOZXPPDI-DTORHVGOSA-N
Molecular Weight 159.232 g/mol
SMILES N1c2ccccc2[C@@]2(C[C@](C1)(C2)[H])[H]
SPLASH splash10-067i-0900000000-2b17d04f0ca9b0054e6e
Source of Spectrum O-21-379-2
Wiley ID 1156346