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(1S,6S,8S)-8-Benzoyloxy-4-methylen-2-oxabicyclo[4.4.0]decan-3-one
SpectraBase Compound ID 7Wwhum0obr2
InChI InChI=1S/C17H18O4/c1-11-9-13-10-14(7-8-15(13)21-16(11)18)20-17(19)12-5-3-2-4-6-12/h2-6,13-15H,1,7-10H2/t13-,14-,15-/m0/s1
InChIKey ZIUVLWMKRDBIEL-KKUMJFAQSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID if2AONS3dD
Name (1S,6S,8S)-8-Benzoyloxy-4-methylen-2-oxabicyclo[4.4.0]decan-3-one
Alternate Name(s) (4aS,6S,8aS)-3-methylene-2-oxooctahydro-2H-chromen-6-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-11-9-13-10-14(7-8-15(13)21-16(11)18)20-17(19)12-5-3-2-4-6-12/h2-6,13-15H,1,7-10H2/t13-,14-,15-/m0/s1
InChIKey ZIUVLWMKRDBIEL-KKUMJFAQSA-N
Literature Reference DOI 10.1002/cber.19741070907
Molecular Weight 286.327 g/mol
SMILES [C@]12(OC(C(C[C@]1(C[C@](CC2)(OC(c1ccccc1)=O)[H])[H])=C)=O)[H]
SPLASH splash10-0a6r-5910000000-04747d2c078f6f50a63f
Source of Spectrum K-107-2858-5g
Wiley ID 1793775