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(1R,4S,5R)-4-methoxy-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID LkHuxfFUP44
InChI InChI=1S/C8H12O4/c1-10-4-8-6(9)3-5(11-2)7(8)12-8/h5,7H,3-4H2,1-2H3/t5-,7+,8-/m0/s1
InChIKey KMHQWTKNXVPOCK-ARDNSNSESA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qJbXQXydYG
Name (1R,4S,5R)-4-methoxy-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hexan-2-one
CAS Registry Number 129076-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-10-4-8-6(9)3-5(11-2)7(8)12-8/h5,7H,3-4H2,1-2H3/t5-,7+,8-/m0/s1
InChIKey KMHQWTKNXVPOCK-ARDNSNSESA-N
Molecular Weight 172.180 g/mol
SMILES [C@@]12([C@]([C@@](OC)(CC2=O)[H])([H])O1)COC
SPLASH splash10-0002-9100000000-7a5122c68900fcb15ca9
Source of Spectrum F-46-2607-36
Wiley ID 1168475