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2-Acetonyl-5,5-bis(benzyloxymethyl)cyclohexanecarboxaldehyde
SpectraBase Compound ID 5gcGB1jZfKZ
InChI InChI=1S/C26H32O4/c1-21(28)14-24-12-13-26(15-25(24)16-27,19-29-17-22-8-4-2-5-9-22)20-30-18-23-10-6-3-7-11-23/h2-11,16,24-25H,12-15,17-20H2,1H3/t24-,25+/m1/s1
InChIKey LAEXBMZLIWRHKD-RPBOFIJWSA-N
Mol Weight 408.5 g/mol
Molecular Formula C26H32O4
Exact Mass 408.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnrgOmLeBth
Name 2-Acetonyl-5,5-bis(benzyloxymethyl)cyclohexanecarboxaldehyde
Alternate Name(s) (1R*,2S*)-2-Acetonyl-5,5-bis(benzyloxymethyl)cyclohexenecarboxaldehyde 5,5-bis[(benzyloxy)methyl]-2-(2-oxopropyl)cyclohexanecarbaldehyde
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Formula C26H32O4
InChI InChI=1S/C26H32O4/c1-21(28)14-24-12-13-26(15-25(24)16-27,19-29-17-22-8-4-2-5-9-22)20-30-18-23-10-6-3-7-11-23/h2-11,16,24-25H,12-15,17-20H2,1H3/t24-,25+/m1/s1
InChIKey LAEXBMZLIWRHKD-RPBOFIJWSA-N
Molecular Weight 408.538 g/mol
SMILES C1(C[C@@](C=O)([C@](CC1)(CC(=O)C)[H])[H])(COCc1ccccc1)COCc1ccccc1
SPLASH splash10-0006-9010000000-fb22375b498a8dd7e20d
Source of Spectrum K-2001-322-18
Wiley ID 1578553