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(2S,3R,4R)-4-(Iodomethyl)-2,3-dimethyl-.gamma.-butyrolactone
SpectraBase Compound ID 9A0a3kVRO9I
InChI InChI=1S/C7H11IO2/c1-4-5(2)7(9)10-6(4)3-8/h4-6H,3H2,1-2H3/t4-,5+,6+/m1/s1
InChIKey YNSJTYDOMMXLEC-SRQIZXRXSA-N
Mol Weight 254.07 g/mol
Molecular Formula C7H11IO2
Exact Mass 253.980375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0LIX4oC2A
Name (2S,3R,4R)-4-(Iodomethyl)-2,3-dimethyl-.gamma.-butyrolactone
Alternate Name(s) (3S,4R,5R)-5-(iodomethyl)-3,4-dimethyldihydro-2(3H)-furanone
Comments Less than 3 mono-isotopic peaks
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Formula C7H11IO2
InChI InChI=1S/C7H11IO2/c1-4-5(2)7(9)10-6(4)3-8/h4-6H,3H2,1-2H3/t4-,5+,6+/m1/s1
InChIKey YNSJTYDOMMXLEC-SRQIZXRXSA-N
Molecular Weight 254.067 g/mol
SMILES C1(O[C@@](CI)([C@@]([C@@]1(C)[H])(C)[H])[H])=O
SPLASH splash10-0006-9010000000-f9b7e81cf17636813f5e
Source of Spectrum J-62-4448-9
Wiley ID 1257114