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1-[(1S,2S)-2-propoxycycloheptyl]hexane-1,2-dione
SpectraBase Compound ID 4IBJIlzw0el
InChI InChI=1S/C16H28O3/c1-3-5-10-14(17)16(18)13-9-7-6-8-11-15(13)19-12-4-2/h13,15H,3-12H2,1-2H3/t13-,15-/m0/s1
InChIKey JSWCUDKPDZOCLM-ZFWWWQNUSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YqBXkv8sIb
Name 1-[(1S,2S)-2-propoxycycloheptyl]hexane-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-3-5-10-14(17)16(18)13-9-7-6-8-11-15(13)19-12-4-2/h13,15H,3-12H2,1-2H3/t13-,15-/m0/s1
InChIKey JSWCUDKPDZOCLM-ZFWWWQNUSA-N
Molecular Weight 268.397 g/mol
SMILES C([C@@]1([C@@](OCCC)(CCCCC1)[H])[H])(C(=O)CCCC)=O
SPLASH splash10-001r-4920000000-94d7b543096085672ddf
Source of Spectrum F-55-10133-21
Wiley ID 838876