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4,4,8-TRIMETHYL-1-ORTHO-TOLYLOXY-TRICYCLO-[6.3.1.0(2,5)]-DODECANE
SpectraBase Compound ID KAYCEdyBgu0
InChI InChI=1S/C22H32O/c1-16-8-5-6-9-19(16)23-22-12-7-11-21(4,15-22)13-10-17-18(22)14-20(17,2)3/h5-6,8-9,17-18H,7,10-15H2,1-4H3/t17-,18+,21+,22-/m1/s1
InChIKey PPLMIYGORLWREV-JZZBYWGLSA-N
Mol Weight 312.5 g/mol
Molecular Formula C22H32O
Exact Mass 312.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8A91d49VZ6P
Name (1R,2S,5R,8S)-4,4,8-Trimethyl-1-o-tolyloxy-tricyclo[6.3.1.0*2,5*]dodecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O
InChI InChI=1S/C22H32O/c1-16-8-5-6-9-19(16)23-22-12-7-11-21(4,15-22)13-10-17-18(22)14-20(17,2)3/h5-6,8-9,17-18H,7,10-15H2,1-4H3/t17-,18+,21+,22-/m1/s1
InChIKey PPLMIYGORLWREV-JZZBYWGLSA-N
Molecular Weight 312.497 g/mol
SMILES [C@@]12([C@@]3([C@](CC[C@](C2)(C)CCC1)([H])C(C3)(C)C)[H])Oc1c(C)cccc1
SPLASH splash10-0aba-9821000000-8332bdc5c874e3abb0c1
Source of Spectrum H-84-3483-13
Synonyms (1R,2S,5R,8S)-4,4,8-trimethyl-1-(2-methylphenoxy)tricyclo[6.3.1.0(2,5)]dodecane 2-Methylphenyl (1R,2S,5R,8S)-4,4,8-trimethyltricyclo[6.3.1.0(2,5)]dodec-1-yl ether 4,4,8-Trimethyl-1-(2'-methylphenoxy)tricyclo[6.3.1.0(2,5)]dodecane
Wiley ID 847930