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(7R)-7-methyl-2-oxepanone
SpectraBase Compound ID GpV0gUKQlDc
InChI InChI=1S/C7H12O2/c1-6-4-2-3-5-7(8)9-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKey WZRNGGFHDMOCEA-ZCFIWIBFSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lN76nYldPi
Name (7R)-7-methyl-2-oxepanone
Alternate Name(s) (7R)-7-methyloxepan-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-6-4-2-3-5-7(8)9-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKey WZRNGGFHDMOCEA-ZCFIWIBFSA-N
Molecular Weight 128.171 g/mol
SMILES C1(O[C@@](CCCC1)(C)[H])=O
SPLASH splash10-0a4i-9000000000-d742214f3b0ee759908d
Source of Spectrum SO-0-662-1
Wiley ID 1540908