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(3S*,3aR*)-Sedanolide
SpectraBase Compound ID 4D25XTWsC8n
InChI InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11?/m0/s1
InChIKey UPJFTVFLSIQQAV-FTNKSUMCSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJAe4x7IZUp
Name (3S*,3aR*)-Sedanolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11?/m0/s1
InChIKey UPJFTVFLSIQQAV-FTNKSUMCSA-N
Molecular Weight 194.274 g/mol
SMILES C1(C=2[C@@](CCCC2)([H])C(O1)CCCC)=O
SPLASH splash10-0a4i-4900000000-f2427180a3b2ad97b8c6
Source of Spectrum F-67-780-1b
Synonyms (S)-3-Butyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one (3aS)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one
Wiley ID 1685561