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(-)-4-[2-Hydroxy-4-(1,1-dimethylheptyl)-6-methoxyphenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one

View entire compound with spectra: 1 MS (GC)

(-)-4-[2-Hydroxy-4-(1,1-dimethylheptyl)-6-methoxyphenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
SpectraBase Compound ID UVxhHtLmGB
InChI InChI=1S/C25H36O3/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/h12-14,18-19,27H,7-11,15H2,1-6H3
InChIKey QRTALXLRYIROJR-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSEkR2X4a0h
Name (-)-4-[2-Hydroxy-4-(1,1-dimethylheptyl)-6-methoxyphenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O3
InChI InChI=1S/C25H36O3/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/h12-14,18-19,27H,7-11,15H2,1-6H3
InChIKey QRTALXLRYIROJR-UHFFFAOYSA-N
Molecular Weight 384.560 g/mol
SMILES Oc1c(C=2C3C(C)(C)C(C(C2)=O)C3)c(cc(C(CCCCCC)(C)C)c1)OC
SPLASH splash10-0ue9-0009000000-efa122c3c57c942b0510
Source of Spectrum J-56-2085-18
Synonyms 4-[4-(1,1-dimethylheptyl)-2-hydroxy-6-methoxyphenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
Wiley ID 1361863