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(1S,3S,5R)-3-benzoxy-4,4-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
SpectraBase Compound ID L1ZvmgglpgC
InChI InChI=1S/C16H20O3/c1-16(2)14(9-12-8-13(17)15(16)19-12)18-10-11-6-4-3-5-7-11/h3-7,12,14-15H,8-10H2,1-2H3/t12-,14+,15+/m1/s1
InChIKey WUTBAUNXRKOQKY-SNPRPXQTSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNgn6D1pJMn
Name (1S,3S,5R)-3-benzoxy-4,4-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-16(2)14(9-12-8-13(17)15(16)19-12)18-10-11-6-4-3-5-7-11/h3-7,12,14-15H,8-10H2,1-2H3/t12-,14+,15+/m1/s1
InChIKey WUTBAUNXRKOQKY-SNPRPXQTSA-N
Molecular Weight 260.333 g/mol
SMILES [C@@]12(C([C@](C[C@@](CC2=O)(O1)[H])(OCc1ccccc1)[H])(C)C)[H]
SPLASH splash10-0a4l-5900000000-ccc778729970dd53c8d9
Source of Spectrum QC-8-3916-0
Synonyms (1S,3S,5R)-4,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-one
Wiley ID 870285