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(+)-(1R,2R,5R,6S,7S)-2-butyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
SpectraBase Compound ID Hr9h6CWH1ZS
InChI InChI=1S/C14H20O2/c1-3-4-7-14-11-6-5-10(8-11)12(14)9(2)16-13(14)15/h5-6,9-12H,3-4,7-8H2,1-2H3/t9-,10-,11+,12+,14-/m1/s1
InChIKey VEXJIHNKWRMJRA-VXUPGSCNSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbaRt6e6Zzp
Name (+)-(1R,2R,5R,6S,7S)-2-butyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
CAS Registry Number 115093-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-4-7-14-11-6-5-10(8-11)12(14)9(2)16-13(14)15/h5-6,9-12H,3-4,7-8H2,1-2H3/t9-,10-,11+,12+,14-/m1/s1
InChIKey VEXJIHNKWRMJRA-VXUPGSCNSA-N
Molecular Weight 220.312 g/mol
SMILES C1([C@@]2([C@]3(C=C[C@]([C@]2([H])[C@](O1)(C)[H])([H])C3)[H])CCCC)=O
SPLASH splash10-066u-9300000000-b8f4d00942837c891e3b
Source of Spectrum J-53-4395-9
Synonyms (1R,2R,5R,6S,7S)-2-butyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
Wiley ID 1220232