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4-((1R,2S,5R,8S)-4,4,8-Trimethyl-tricyclo[6.3.1.0*2,5*]dodec-1-yl)-benzene-1,2-diol
SpectraBase Compound ID 3rGJJrvY6zk
InChI InChI=1S/C21H30O2/c1-19(2)12-16-15(19)7-10-20(3)8-4-9-21(16,13-20)14-5-6-17(22)18(23)11-14/h5-6,11,15-16,22-23H,4,7-10,12-13H2,1-3H3/t15-,16+,20+,21+/m1/s1
InChIKey KBIALSAEPBWOLG-ALGWMNEGSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7L5F8QMV8q
Name 4-((1R,2S,5R,8S)-4,4,8-Trimethyl-tricyclo[6.3.1.0*2,5*]dodec-1-yl)-benzene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-19(2)12-16-15(19)7-10-20(3)8-4-9-21(16,13-20)14-5-6-17(22)18(23)11-14/h5-6,11,15-16,22-23H,4,7-10,12-13H2,1-3H3/t15-,16+,20+,21+/m1/s1
InChIKey KBIALSAEPBWOLG-ALGWMNEGSA-N
Molecular Weight 314.469 g/mol
SMILES Oc1cc(ccc1O)[C@]12[C@@]3([C@](CC[C@](C2)(C)CCC1)([H])C(C3)(C)C)[H]
SPLASH splash10-0udi-2294000000-c130cc2a3e5c9042fa5d
Source of Spectrum H-84-3485-19
Synonyms 4-(4',4',8'-Trimethyltricyclo[6.3.1.0(2,5)]dodec-1'-yl)-benzene-1,2-diol 4-[(1R,2S,5R,8S)-4,4,8-trimethyltricyclo[6.3.1.0(2,5)]dodec-1-yl]-1,2-benzenediol
Wiley ID 847924