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(1S,2R,5R,7S)-2-hydroxy-exo-brevicomin
SpectraBase Compound ID ABuVsXUMcVN
InChI InChI=1S/C9H16O3/c1-3-7-8-6(10)4-5-9(2,11-7)12-8/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+,9-/m1/s1
InChIKey PFDZIEBTGBMYIS-RYPBNFRJSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BPcGB6ln5N
Name (1S,2R,5R,7S)-2-hydroxy-exo-brevicomin
Alternate Name(s) (1S,2R,5R,7S)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-7-8-6(10)4-5-9(2,11-7)12-8/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+,9-/m1/s1
InChIKey PFDZIEBTGBMYIS-RYPBNFRJSA-N
Literature Reference DOI 10.1002/rcm.2696
Molecular Weight 172.224 g/mol
SMILES O[C@]1([C@]2([C@@](O[C@](CC1)(C)O2)(CC)[H])[H])[H]
SPLASH splash10-053r-9200000000-ad5e697404a570b17091
Source of Spectrum RCM-20-2990-3
Wiley ID 1820394