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(1S*,3R*,7S*,8R*)-9-Bromo-3-methoxy-10-methyl-4-oxatricyclo[5.3.1.0(3,8)]undec-9-en-2-one
SpectraBase Compound ID LBwuYOBwh9O
InChI InChI=1S/C12H15BrO3/c1-6-8-5-7-3-4-16-12(15-2,11(8)14)9(7)10(6)13/h7-9H,3-5H2,1-2H3/t7-,8+,9-,12-/m0/s1
InChIKey CIMFOVRKUKOQIT-NHRVJRKFSA-N
Mol Weight 287.15 g/mol
Molecular Formula C12H15BrO3
Exact Mass 286.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SzzVeMllo
Name (1S*,3R*,7S*,8R*)-9-Bromo-3-methoxy-10-methyl-4-oxatricyclo[5.3.1.0(3,8)]undec-9-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15BrO3
InChI InChI=1S/C12H15BrO3/c1-6-8-5-7-3-4-16-12(15-2,11(8)14)9(7)10(6)13/h7-9H,3-5H2,1-2H3/t7-,8+,9-,12-/m0/s1
InChIKey CIMFOVRKUKOQIT-NHRVJRKFSA-N
Molecular Weight 287.153 g/mol
SMILES [C@]12([C@@]3(C(Br)=C([C@](C2=O)(C[C@]3([H])CCO1)[H])C)[H])OC
SPLASH splash10-0bvr-0190000000-ebebf7396fe7ab1fa06b
Source of Spectrum F-67-8165-22
Synonyms (1S,3R,7S,8R)-9-bromo-3-methoxy-10-methyl-4-oxatricyclo[5.3.1.0(3,8)]undec-9-en-2-one
Wiley ID 1571210