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2-[(2R,3R)-3-methyl-2-oxepanyl]acetic acid ethyl ester
SpectraBase Compound ID CYhg35ll7Bt
InChI InChI=1S/C11H20O3/c1-3-13-11(12)8-10-9(2)6-4-5-7-14-10/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKey QXGIRKUAROTQQJ-NXEZZACHSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClBriTgnJiA
Name 2-[(2R,3R)-3-methyl-2-oxepanyl]acetic acid ethyl ester
Alternate Name(s) 2-[(2R,3R)-3-methyloxepan-2-yl]acetic acid ethyl ester Ethyl 2-[(2R,3R)-3-methyloxepan-2-yl]acetate Ethyl 2-[(2R,3R)-3-methyloxepan-2-yl]ethanoate
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Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-3-13-11(12)8-10-9(2)6-4-5-7-14-10/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKey QXGIRKUAROTQQJ-NXEZZACHSA-N
Molecular Weight 200.278 g/mol
SMILES C([C@]1(OCCCC[C@]1(C)[H])[H])C(=O)OCC
SPLASH splash10-0c03-9500000000-38bbb684401a8a2e3974
Source of Spectrum AJ-63-1908-3
Wiley ID 1197756