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2-Pentalenol, 1,2,3,3a,4,6a-hexahydro-, [2S-(2.alpha.,3a.beta.,6a.beta.)]-
SpectraBase Compound ID 8hFEQTJYiRr
InChI InChI=1S/C8H12O/c9-8-4-6-2-1-3-7(6)5-8/h1-2,6-9H,3-5H2/t6-,7+,8+/m0/s1
InChIKey OWVOPHWRRJQZCG-XLPZGREQSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSWwq5FoFGo
Name 2-Pentalenol, 1,2,3,3a,4,6a-hexahydro-, [2S-(2.alpha.,3a.beta.,6a.beta.)]-
Alternate Name(s) (1R,3S,5S)-bicyclo[3.3.0]oct-6-en-3-ol (2S,3aR,6aS)-1,2,3,3a,4,6a-hexahydro-2-pentalenol
CAS Registry Number 111768-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c9-8-4-6-2-1-3-7(6)5-8/h1-2,6-9H,3-5H2/t6-,7+,8+/m0/s1
InChIKey OWVOPHWRRJQZCG-XLPZGREQSA-N
Molecular Weight 124.183 g/mol
SMILES O[C@@]1(C[C@]2([C@@](C1)(CC=C2)[H])[H])[H]
SPLASH splash10-052f-9800000000-8d313b7ec2b0574ef725
Source of Spectrum KC-1990-1667-8
Wiley ID 1129060