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(3S,4S)-3-[4-(4-Pentyl-cyclohexyl)-benzyl]-4-propyl-oxetan-2-one
SpectraBase Compound ID z0DGuVAESw
InChI InChI=1S/C24H36O2/c1-3-5-6-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-22-23(7-4-2)26-24(22)25/h11-12,15-16,18,20,22-23H,3-10,13-14,17H2,1-2H3/t18?,20?,22-,23-/m0/s1
InChIKey TVUGLIOPWZMNHZ-FRZIOBBBSA-N
Mol Weight 356.6 g/mol
Molecular Formula C24H36O2
Exact Mass 356.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCgMt7Cb64
Name (3S,4S)-3-[4-(4-Pentyl-cyclohexyl)-benzyl]-4-propyl-oxetan-2-one
Alternate Name(s) (3S,4S)-3-[4-(4-pentylcyclohexyl)benzyl]-4-propyl-2-oxetanone 3-[4'-(4''-Pentylcyclohex-1''-yl)benzyl]-4-propyl-1-oxabutan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O2
InChI InChI=1S/C24H36O2/c1-3-5-6-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-22-23(7-4-2)26-24(22)25/h11-12,15-16,18,20,22-23H,3-10,13-14,17H2,1-2H3/t18?,20?,22-,23-/m0/s1
InChIKey TVUGLIOPWZMNHZ-FRZIOBBBSA-N
Molecular Weight 356.550 g/mol
SMILES C1([C@@](Cc2ccc(cc2)C2CCC(CCCCC)CC2)([C@@](O1)(CCC)[H])[H])=O
SPLASH splash10-0a4i-8729000000-2841712bdd56eb2b2cde
Source of Spectrum E2-47-21-9
Wiley ID 1520289