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Tricyclo[4.1.0.0(1,3)]heptan-4-one
SpectraBase Compound ID BqM0LTXPG60
InChI InChI=1S/C7H8O/c8-6-1-4-2-7(4)3-5(6)7/h4-5H,1-3H2/t4-,5+,7?/m1/s1
InChIKey HVJXHHAGFITTDM-GXFGBBIGSA-N
Mol Weight 108.14 g/mol
Molecular Formula C7H8O
Exact Mass 108.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYT4ALJSEfA
Name Tricyclo[4.1.0.0(1,3)]heptan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O
InChI InChI=1S/C7H8O/c8-6-1-4-2-7(4)3-5(6)7/h4-5H,1-3H2/t4-,5+,7?/m1/s1
InChIKey HVJXHHAGFITTDM-GXFGBBIGSA-N
Molecular Weight 108.140 g/mol
SMILES C123[C@@](C(=O)C[C@]3([H])C1)([H])C2
SPLASH splash10-0550-9300000000-0cd0315dc7c368f472a8
Source of Spectrum J-63-1398-5
Synonyms (3R,6S)-Tricyclo[4.1.0.0(1,3)]heptan-4-one
Wiley ID 1121879