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4-[2-Hydroxy-4-(1,1-dimethylheptyl)-6-methoxyphenyl]-6,6-dimethylbicyclo[3.1.1]heptan-2-one
SpectraBase Compound ID 4KGPpBbWNxw
InChI InChI=1S/C25H38O3/c1-7-8-9-10-11-24(2,3)16-12-21(27)23(22(13-16)28-6)17-14-20(26)19-15-18(17)25(19,4)5/h12-13,17-19,27H,7-11,14-15H2,1-6H3
InChIKey STRWQVFWZDSDEC-UHFFFAOYSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbBWSYpMeYt
Name 4-[2-Hydroxy-4-(1,1-dimethylheptyl)-6-methoxyphenyl]-6,6-dimethylbicyclo[3.1.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-7-8-9-10-11-24(2,3)16-12-21(27)23(22(13-16)28-6)17-14-20(26)19-15-18(17)25(19,4)5/h12-13,17-19,27H,7-11,14-15H2,1-6H3
InChIKey STRWQVFWZDSDEC-UHFFFAOYSA-N
Molecular Weight 386.576 g/mol
SMILES Oc1c(C2C3C(C)(C)C(C3)C(=O)C2)c(cc(C(CCCCCC)(C)C)c1)OC
SPLASH splash10-000i-0019000000-2e9f167aac12317a1b02
Source of Spectrum J-56-2085-10
Synonyms 4-[4-(1,1-dimethylheptyl)-2-hydroxy-6-methoxyphenyl]-6,6-dimethylbicyclo[3.1.1]heptan-2-one 2-[2-hydroxy-6-methoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanone 2-[2-hydroxy-6-methoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethylbicyclo[3.1.1]heptan-4-one 2-[2-methoxy-4-(2-methyloctan-2-yl)-6-oxidanyl-phenyl]-6,6-dimethyl-bicyclo[3.1.1]heptan-4-one
Wiley ID 1362927