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Bicyclo[3.1.0]hexan-2-one, 4-(methyl-D3)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-
SpectraBase Compound ID CRo9IoLtUvt
InChI InChI=1S/C7H10O/c1-4-2-7(8)6-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1/i1D3
InChIKey WFBPQZMZQUGNAV-NXHOIMABSA-N
Mol Weight 113.17 g/mol
Molecular Formula C7H7D3O
Exact Mass 113.091995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQku3KJiuvV
Name Bicyclo[3.1.0]hexan-2-one, 4-(methyl-D3)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-
CAS Registry Number 133797-05-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7D3O
InChI InChI=1S/C7H10O/c1-4-2-7(8)6-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1/i1D3
InChIKey WFBPQZMZQUGNAV-NXHOIMABSA-N
Molecular Weight 113.174 g/mol
SMILES [C@]12([C@@]([C@](C([D])([D])[D])(CC2=O)[H])([H])C1)[H]
SPLASH splash10-066r-9100000000-f75d2d2f5643c1d78055
Source of Spectrum C-113-4604-34
Synonyms (1S,5S)-(+)-exo-4-Methylbicyclo[3.1.0]hexan-2-one-7-D(3)
Wiley ID 1122564