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rel-(1R,2R,9R)-9-Isopropyl-2-methyl-8-oxatricyclo[7.2.1.0(1,6)]dodeca-4,6-diene
SpectraBase Compound ID GHa7vxWOHwa
InChI InChI=1S/C15H22O/c1-11(2)15-8-7-14(10-15)12(3)5-4-6-13(14)9-16-15/h4,6,9,11-12H,5,7-8,10H2,1-3H3/t12-,14-,15-/m1/s1
InChIKey RWSJBPILCKENTP-BPLDGKMQSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjV0LSEy7qu
Name rel-(1R,2R,9R)-9-Isopropyl-2-methyl-8-oxatricyclo[7.2.1.0(1,6)]dodeca-4,6-diene
Alternate Name(s) (3R,5aR,6R)-3-isopropyl-6-methyl-4,5,6,7-tetrahydro-3H-3,5a-methanobenzo[c]oxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-11(2)15-8-7-14(10-15)12(3)5-4-6-13(14)9-16-15/h4,6,9,11-12H,5,7-8,10H2,1-3H3/t12-,14-,15-/m1/s1
InChIKey RWSJBPILCKENTP-BPLDGKMQSA-N
Literature Reference DOI 10.1002/ffj.2730100306
Molecular Weight 218.340 g/mol
SMILES [C@]123[C@@](CC=CC3=CO[C@](CC1)(C2)C(C)C)(C)[H]
SPLASH splash10-0aou-6930000000-10c4060142283e8af947
Source of Spectrum FF-10-150-7
Wiley ID 1801297