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7,8'-(CIS)-7',8'-(TRANS)-DI-ISOHOMOGENOL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7,8'-(CIS)-7',8'-(TRANS)-DI-ISOHOMOGENOL
SpectraBase Compound ID HWgELs2yUIS
InChI InChI=1S/C22H28O4/c1-7-15-13(2)22(14-8-9-18(23-3)19(10-14)24-4)17-12-21(26-6)20(25-5)11-16(15)17/h8-13,15,22H,7H2,1-6H3/t13-,15+,22-/m1/s1
InChIKey RTPSBRFMJKJZNR-QOAZOABKSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7X7ktU2206B
Name (1R,2R,3S)-1-(3,4-dimethoxyphenyl)-3-ethyl-5,6-dimethoxy-2-methyl-2,3-dihydro-1H-indene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-7-15-13(2)22(14-8-9-18(23-3)19(10-14)24-4)17-12-21(26-6)20(25-5)11-16(15)17/h8-13,15,22H,7H2,1-6H3/t13-,15+,22-/m1/s1
InChIKey RTPSBRFMJKJZNR-QOAZOABKSA-N
Molecular Weight 356.462 g/mol
SMILES c12c([C@@](CC)([C@]([C@@]2(c2cc(OC)c(cc2)OC)[H])(C)[H])[H])cc(c(c1)OC)OC
SPLASH splash10-0a6r-0009000000-d01c638e2363f1f9556a
Source of Spectrum J-59-8037-10
Synonyms (1R,2R,3S)-1-(3,4-dimethoxyphenyl)-3-ethyl-5,6-dimethoxy-2-methyl-indane
Wiley ID 1346071