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TETRAMETHYLMEDITERRANEOL-B;SYNTHETIC-PRODUCT
SpectraBase Compound ID 8bHrR3UehzY
InChI InChI=1S/C31H44O5/c1-20(11-12-22-15-24(33-7)14-21(2)28(22)36-10)13-23(32)17-30(5)19-26-27(35-9)16-25(34-8)18-31(30,6)29(26,3)4/h11,14-16,18,26H,12-13,17,19H2,1-10H3/b20-11+/t26-,30+,31+/m0/s1
InChIKey JYWWWDZLUBBYIE-YELHJXJKSA-N
Mol Weight 496.7 g/mol
Molecular Formula C31H44O5
Exact Mass 496.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZrQL8yWd4E
Name 2,4-Dimethoxy-7-[4-methyl-6-[(2,5-dimethoxy-3-methyl)phenyl]-2-oxohex-4-en-1-yl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonan-2,4-diene
Alternate Name(s) (4E)-6-(2,5-dimethoxy-3-methylphenyl)-1-(2,4-dimethoxy-6,7,9,9-tetramethylbicyclo[4.2.1]nona-2,4-dien-7-yl)-4-methyl-4-hexen-2-one (S)-2,4-Dimethoxy-7-[4-methyl-6-[(2,5-dimethoxy-3-methyl)phenyl]-2-oxohex-4-en-1-yl]-6,7,9,9-tetramethylbicyclo[4.2.1]nonan-2,4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44O5
InChI InChI=1S/C31H44O5/c1-20(11-12-22-15-24(33-7)14-21(2)28(22)36-10)13-23(32)17-30(5)19-26-27(35-9)16-25(34-8)18-31(30,6)29(26,3)4/h11,14-16,18,26H,12-13,17,19H2,1-10H3/b20-11+/t26-,30+,31+/m0/s1
InChIKey JYWWWDZLUBBYIE-YELHJXJKSA-N
Molecular Weight 496.688 g/mol
SMILES [C@]12([C@@](C[C@](C2(C)C)(C(OC)=CC(=C1)OC)[H])(CC(=O)C\C(=C\Cc1c(c(C)cc(c1)OC)OC)C)C)C
SPLASH splash10-004l-0900100000-6b530d6c1229b2f89d56
Source of Spectrum J-60-3332-2
Wiley ID 1398315