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(2R,4S)-(+)-2-[(2,5-Dimethoxyphenyl)methyl]-2,4-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexanone
SpectraBase Compound ID Aw49ysv6g1Z
InChI InChI=1S/C21H30O5/c1-19(13-15-12-16(23-4)6-7-17(15)24-5)14-20(2,9-8-18(19)22)21(3)25-10-11-26-21/h6-7,12H,8-11,13-14H2,1-5H3/t19-,20+/m1/s1
InChIKey LLHJCHHUYBYHFI-UXHICEINSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58CbYyRpmOb
Name (2R,4S)-(+)-2-[(2,5-Dimethoxyphenyl)methyl]-2,4-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexanone
Alternate Name(s) (2R,4S)-2-(2,5-dimethoxybenzyl)-2,4-dimethyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-19(13-15-12-16(23-4)6-7-17(15)24-5)14-20(2,9-8-18(19)22)21(3)25-10-11-26-21/h6-7,12H,8-11,13-14H2,1-5H3/t19-,20+/m1/s1
InChIKey LLHJCHHUYBYHFI-UXHICEINSA-N
Molecular Weight 362.466 g/mol
SMILES [C@@]1(C[C@](C2(OCCO2)C)(C)CCC1=O)(Cc1c(ccc(c1)OC)OC)C
SPLASH splash10-0f79-9500000000-969211ff09f9099b79bd
Source of Spectrum J-61-8779-22
Wiley ID 1349753