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(3aR*, 9bS*)-1,2,3a,4,5,9b-Hexahydronaphtho[2,1-b]furan
SpectraBase Compound ID 1WPMryu7ds
InChI InChI=1S/C12H14O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-4,11-12H,5-8H2/t11-,12+/m1/s1
InChIKey PJYYCHBDADIBFF-NEPJUHHUSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80zLrHMIxCv
Name (3aR*, 9bS*)-1,2,3a,4,5,9b-Hexahydronaphtho[2,1-b]furan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.104465070 u
Formula C12H14O
GC Column (25 m ?? 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 140 oC
InChI InChI=1S/C12H14O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-4,11-12H,5-8H2/t11-,12+/m1/s1
InChIKey PJYYCHBDADIBFF-NEPJUHHUSA-N
Instrument Name Chirasil-DEX-CB
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201609110
Molecular Weight 174.243 g/mol
Optical Rotation [a]D20 = +118.1 (c = 0.21, CHCl3)
Quality 71
SMILES C1=CC2=C(C=C1)CC[C@]1([C@@]2(CCO1)[H])[H]
SPLASH splash10-004i-0900000000-0cdf7739cb4a49328715
Sample Comments 89% ee
Source of Spectrum ACI-55-SM18-2a (DOI: 10.1002/anie.201609110)
Wiley ID 1899384