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1H,4H-3a,6a-Methanopentalen-1-one, tetrahydro-, (3aS)-
SpectraBase Compound ID BtRthGz634v
InChI InChI=1S/C9H12O/c10-7-2-5-8-3-1-4-9(7,8)6-8/h1-6H2/t8-,9-/m0/s1
InChIKey IOFPCLPWWOFFHC-IUCAKERBSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6d4VEwG5R2h
Name 1H,4H-3a,6a-Methanopentalen-1-one, tetrahydro-, (3aS)-
Alternate Name(s) (1R,5S)-tricyclo[3.3.1.0(1,5)]nonan-2-one (3aS,6aR)-2,3,5,6-tetrahydro-3a,6a-methano-1H,4H-pentalen-1-one
CAS Registry Number 105616-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c10-7-2-5-8-3-1-4-9(7,8)6-8/h1-6H2/t8-,9-/m0/s1
InChIKey IOFPCLPWWOFFHC-IUCAKERBSA-N
Molecular Weight 136.194 g/mol
SMILES [C@]123[C@](CCC3=O)(CCC1)C2
SPLASH splash10-002f-9100000000-e46c595e3f930bd4097e
Source of Spectrum F-43-690-37
Wiley ID 1136326