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cis and trans-,3,6-Dicetoxy-1-cyclohexene
SpectraBase Compound ID C7mZOp3epv2
InChI InChI=1S/C10H14O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3,5,9-10H,4,6H2,1-2H3/t9-,10+
InChIKey VDGAZJWPUNUMLR-AOOOYVTPSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Pha797mr1o
Name cis and trans-,3,6-Dicetoxy-1-cyclohexene
Alternate Name(s) (1R,4S)-4-(acetyloxy)-2-cyclohexen-1-yl acetate acetic acid[(1R,4S)-4-acetoxycyclohex-2-en-1-yl]ester acetic acid[(1R,4S)-4-acetyloxy-1-cyclohex-2-enyl]ester [(1R,4S)-4-acetoxycyclohex-2-en-1-yl]acetate [(1R,4S)-4-acetyloxycyclohex-2-en-1-yl]acetate [(1R,4S)-4-acetyloxycyclohex-2-en-1-yl]ethanoate acetic acid [(1S,4R)-4-acetyloxy-1-cyclohex-2-enyl] ester [(1S,4R)-4-acetyloxycyclohex-2-en-1-yl] acetate [(1S,4R)-4-acetoxycyclohex-2-en-1-yl] acetate [(1S,4R)-4-acetyloxycyclohex-2-en-1-yl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3,5,9-10H,4,6H2,1-2H3/t9-,10+
InChIKey VDGAZJWPUNUMLR-AOOOYVTPSA-N
Molecular Weight 198.218 g/mol
SMILES C(O[C@@]1(C=C[C@](OC(=O)C)(CC1)[H])[H])(=O)C
SPLASH splash10-004i-9000000000-b2abe9c37679b3b6eda5
Source of Spectrum O1-30-225-14
Wiley ID 818652