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Methyl carrizaloate
SpectraBase Compound ID IYXjO0cZ7P1
InChI InChI=1S/C19H24O5/c1-18(2)15(19(3,22)9-8-16(18)20)11-13-10-12(17(21)24-5)6-7-14(13)23-4/h6-10,15,22H,11H2,1-5H3/t15?,19-/m1/s1
InChIKey PDGBZOCIJGESTD-XCWJXAQQSA-N
Mol Weight 332.4 g/mol
Molecular Formula C19H24O5
Exact Mass 332.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0vF4cAG2pb
Name Methyl carrizaloate
Alternate Name(s) Methyl 3-[(9'-hydroxy-9',13',13'-trimethyl-12'-oxo-10'-cyclohexenyl]methyl]-4-methoxybenzoate 3-[[(2R)-2-hydroxy-2,6,6-trimethyl-5-oxo-1-cyclohex-3-enyl]methyl]-4-methoxybenzoic acid methyl ester Methyl 3-[[(2R)-2-hydroxy-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]methyl]-4-methoxybenzoate Methyl 3-[[(2R)-2-hydroxy-2,6,6-trimethyl-5-oxo-cyclohex-3-en-1-yl]methyl]-4-methoxy-benzoate Methyl 4-methoxy-3-[[(2R)-2,6,6-trimethyl-2-oxidanyl-5-oxidanylidene-cyclohex-3-en-1-yl]methyl]benzoate
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Formula C19H24O5
InChI InChI=1S/C19H24O5/c1-18(2)15(19(3,22)9-8-16(18)20)11-13-10-12(17(21)24-5)6-7-14(13)23-4/h6-10,15,22H,11H2,1-5H3/t15?,19-/m1/s1
InChIKey PDGBZOCIJGESTD-XCWJXAQQSA-N
Molecular Weight 332.396 g/mol
SMILES O[C@]1(C(C(C(=O)C=C1)(C)C)Cc1cc(C(=O)OC)ccc1OC)C
SPLASH splash10-0a4i-8962000000-654ca898eaf587927782
Source of Spectrum G4-64-1126-2
Wiley ID 1609177