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Isocelorbicol
SpectraBase Compound ID 5ZHHKv9sEpB
InChI InChI=1S/C15H26O4/c1-8-5-10(16)12(18)14(4)11(17)6-9-7-15(8,14)19-13(9,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,14-,15+/m1/s1
InChIKey DNKWNWHMKFXSSE-MAZRLOOJSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OBM7OwD8C
Name Isocelorbicol
CAS Registry Number 59812-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-8-5-10(16)12(18)14(4)11(17)6-9-7-15(8,14)19-13(9,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,14-,15+/m1/s1
InChIKey DNKWNWHMKFXSSE-MAZRLOOJSA-N
Molecular Weight 270.369 g/mol
SMILES O[C@]1(C[C@]2(C(O[C@@]3([C@]1([C@]([C@](C[C@]3(C)[H])(O)[H])(O)[H])C)C2)(C)C)[H])[H]
SPLASH splash10-0694-8920000000-d2c0fe7ab1b02288e109
Source of Spectrum AT-42-4651-3
Synonyms (1S,2R,4S,5R,6R,7S,9R)-2,6,10,10-Tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodecane-4,5,7-triol (1S,2R,4S,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0(1,6)]dodecane-4,5,7-triol
Wiley ID 855161