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2-[(1S,2R,4R)-2-acetoxy-4-methyl-cyclohexyl]allyl acetate
SpectraBase Compound ID 5qg9Vq0IlJy
InChI InChI=1S/C14H22O4/c1-9-5-6-13(10(2)8-17-11(3)15)14(7-9)18-12(4)16/h9,13-14H,2,5-8H2,1,3-4H3/t9-,13+,14-/m1/s1
InChIKey XPTPIBYCAMXKAZ-BIGNPOOSSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfGuzbPLqQh
Name 2-[(1S,2R,4R)-2-acetoxy-4-methyl-cyclohexyl]allyl acetate
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Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-9-5-6-13(10(2)8-17-11(3)15)14(7-9)18-12(4)16/h9,13-14H,2,5-8H2,1,3-4H3/t9-,13+,14-/m1/s1
InChIKey XPTPIBYCAMXKAZ-BIGNPOOSSA-N
Molecular Weight 254.326 g/mol
SMILES [C@]1([C@](C(COC(=O)C)=C)(CC[C@](C1)(C)[H])[H])(OC(=O)C)[H]
SPLASH splash10-0kai-4900000000-0410458446be821eb046
Source of Spectrum H-85-2498-21
Synonyms 2-[(1S,2R,4R)-2-acetyloxy-4-methyl-cyclohexyl]prop-2-enyl ethanoate 2-[(1S,2R,4R)-2-acetyloxy-4-methylcyclohexyl]prop-2-enyl acetate Acetic acid 2-[(1S,2R,4R)-2-acetoxy-4-methyl-cyclohexyl]allyl ester Acetic acid 2-[(1S,2R,4R)-2-acetyloxy-4-methylcyclohexyl]prop-2-enyl ester
Wiley ID 1524546