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3-Oxabicyclo[5.1.0]octan-2-one, 8-(1,1-dimethylethoxy)-8-phenyl-, (1.alpha.,7.alpha.,8.alpha.)-
SpectraBase Compound ID HWJ7B5cG4WB
InChI InChI=1S/C17H22O3/c1-16(2,3)20-17(12-8-5-4-6-9-12)13-10-7-11-19-15(18)14(13)17/h4-6,8-9,13-14H,7,10-11H2,1-3H3/t13-,14-,17-/m1/s1
InChIKey XCHQNTOBCPHRKX-CKEIUWERSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLRqa1nwCgJ
Name 3-Oxabicyclo[5.1.0]octan-2-one, 8-(1,1-dimethylethoxy)-8-phenyl-, (1.alpha.,7.alpha.,8.alpha.)-
CAS Registry Number 92609-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-16(2,3)20-17(12-8-5-4-6-9-12)13-10-7-11-19-15(18)14(13)17/h4-6,8-9,13-14H,7,10-11H2,1-3H3/t13-,14-,17-/m1/s1
InChIKey XCHQNTOBCPHRKX-CKEIUWERSA-N
Molecular Weight 274.360 g/mol
SMILES [C@]12([C@@](OC(C)(C)C)(c3ccccc3)[C@@]1(CCCOC2=O)[H])[H]
SPLASH splash10-066r-0690000000-04c9506a10fa3509587a
Source of Spectrum F-40-2008-0
Synonyms (1S,7R,8R)-8-tert-butoxy-8-phenyl-3-oxabicyclo[5.1.0]octan-2-one t-3-t-butoxy-c-2-(2-hydroxypropyl)-c-3-phenyl-r-1-cyclopropanecarboxylic acid lactone
Wiley ID 1278402