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5,8-Methano-5H-benzocyclohepten-9(6H)-one, 8-amino-7,8-dihydro-
SpectraBase Compound ID Dg7ZonrXFbq
InChI InChI=1S/C12H13NO/c13-12-6-5-8(7-12)9-3-1-2-4-10(9)11(12)14/h1-4,8H,5-7,13H2
InChIKey QPRJBROVAZIZSJ-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VYSc7UvwZT
Name 5,8-Methano-5H-benzocyclohepten-9(6H)-one, 8-amino-7,8-dihydro-
CAS Registry Number 115340-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c13-12-6-5-8(7-12)9-3-1-2-4-10(9)11(12)14/h1-4,8H,5-7,13H2
InChIKey QPRJBROVAZIZSJ-UHFFFAOYSA-N
Molecular Weight 187.242 g/mol
SMILES NC12C(c3ccccc3C(C2)CC1)=O
SPLASH splash10-05o9-0900000000-ebb16909e31ef6ea2295
Source of Spectrum J-53-4024-12
Synonyms 8-Amino-9-oxo-6,7,8,9-tetrahydro-5,8-methano-5H-benzocycloheptene 9-Aminotricyclo[7.2.1.0(2,7)]dodeca-2,4,6-trien-8-one
Wiley ID 1183961