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Bicyclo[2.2.1]hept-5-ene-2-methanol, 7,7-dimethoxy-3-propyl-, (endo,endo)-(.+-.)-
SpectraBase Compound ID DUI8ksSlrcq
InChI InChI=1S/C13H22O3/c1-4-5-9-10(8-14)12-7-6-11(9)13(12,15-2)16-3/h6-7,9-12,14H,4-5,8H2,1-3H3/t9?,10-,11-,12+/m1/s1
InChIKey PVBRPXAJVKBACM-RDFFEMEHSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nus4M6PzYh
Name Bicyclo[2.2.1]hept-5-ene-2-methanol, 7,7-dimethoxy-3-propyl-, (endo,endo)-(.+-.)-
CAS Registry Number 123559-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-4-5-9-10(8-14)12-7-6-11(9)13(12,15-2)16-3/h6-7,9-12,14H,4-5,8H2,1-3H3/t9?,10-,11-,12+/m1/s1
InChIKey PVBRPXAJVKBACM-RDFFEMEHSA-N
Molecular Weight 226.316 g/mol
SMILES OC[C@]1([C@]2(C([C@](C=C2)(C1CCC)[H])(OC)OC)[H])[H]
SPLASH splash10-002b-4910000000-e111086fe97e257da30a
Source of Spectrum F-45-1385-7
Synonyms (+-)-(1R*,4S*,5R*,6R*)-5-hydroxymethyl-6-propylbicyclo[2.2.1]hept-2-en-7-one dimethylketal [(1S,2R,3R,4S)-7,7-dimethoxy-3-propylbicyclo[2.2.1]hept-5-en-2-yl]methanol
Wiley ID 1227587