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Isorhodolaureol
SpectraBase Compound ID 5dhRKQkYzjL
InChI InChI=1S/C15H22BrClO/c1-13(2)12(16)10(18)6-9-7-14(3)4-5-15(9,13)8-11(14)17/h7,10-12,18H,4-6,8H2,1-3H3/t10-,11-,12-,14?,15?/m0/s1
InChIKey GERMJTUOMAFORB-YTEXEKBWSA-N
Mol Weight 333.7 g/mol
Molecular Formula C15H22BrClO
Exact Mass 332.054256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6d8BIghs8Zd
Name Isorhodolaureol
Alternate Name(s) (3R,4S,9S)-3-bromo-9-chloro-2,2,8-trimethyltricyclo[6.2.2.0(1,6)]dodec-6-en-4-ol 3-Chloro-6-bromo-2,5,5-trimethyl-7-hydroxytricyclo[6.2.2(2,10).0(9,10)]dodec-(1,9)-ene
CAS Registry Number 124596-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22BrClO
InChI InChI=1S/C15H22BrClO/c1-13(2)12(16)10(18)6-9-7-14(3)4-5-15(9,13)8-11(14)17/h7,10-12,18H,4-6,8H2,1-3H3/t10-,11-,12-,14?,15?/m0/s1
InChIKey GERMJTUOMAFORB-YTEXEKBWSA-N
Molecular Weight 333.697 g/mol
SMILES O[C@@]1([C@@](C(C23C(=CC(CC3)(C)[C@](C2)(Cl)[H])C1)(C)C)(Br)[H])[H]
SPLASH splash10-00di-0790000000-6ea2e816a482a846d797
Source of Spectrum B-42-1602-8
Wiley ID 1329109