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JTAWEGXLKGECMT-KWQFWETISA-N
SpectraBase Compound ID JlAjoDJwU4E
InChI InChI=1S/C12H12O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,8,11H,5-7H2/t8-,11-/m0/s1
InChIKey JTAWEGXLKGECMT-KWQFWETISA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NRXkZMfauc
Name 1,4-Ethanonaphthalen-2(1H)-one, 3,4-dihydro-
CAS Registry Number 13153-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,8,11H,5-7H2/t8-,11-/m0/s1
InChIKey JTAWEGXLKGECMT-KWQFWETISA-N
Literature Reference DOI 10.1002/aoc.1326
Molecular Weight 172.227 g/mol
SMILES c1ccc2[C@@]3(CC[C@](c2c1)(CC3=O)[H])[H]
SPLASH splash10-0059-1900000000-dbdb136e44b0d867ec0b
Source of Spectrum AOC-21-1032-22
Synonyms Benzobicyclo[2.2.2]octen-2-one (1R,4R)-3,4-dihydro-1,4-ethanonaphthalen-2(1H)-one
Wiley ID 1770040