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(3aR*, 9bS*)-1,2,3a,4,5,9b-Hexahydro-8-methoxylnaphtho[2,1-b]furan
SpectraBase Compound ID eckjCe9NBz
InChI InChI=1S/C13H16O2/c1-14-10-4-2-9-3-5-13-11(6-7-15-13)12(9)8-10/h2,4,8,11,13H,3,5-7H2,1H3/t11-,13+/m1/s1
InChIKey NDLLICYUNBSXQP-YPMHNXCESA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19vgUe7ti7W
Name (3aR*, 9bS*)-1,2,3a,4,5,9b-Hexahydro-8-methoxylnaphtho[2,1-b]furan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
GC Column (25 m ?? 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 170 oC
InChI InChI=1S/C13H16O2/c1-14-10-4-2-9-3-5-13-11(6-7-15-13)12(9)8-10/h2,4,8,11,13H,3,5-7H2,1H3/t11-,13+/m1/s1
InChIKey NDLLICYUNBSXQP-YPMHNXCESA-N
Instrument Name Chirasil-DEX-CB
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201609110
Molecular Weight 204.269 g/mol
Optical Rotation [a]D20 = +101.5 (c = 0.52, CHCl3)
Quality 31
SMILES C1(=CC2=C(C=C1)CC[C@]1([C@@]2(CCO1)[H])[H])OC
SPLASH splash10-0pb9-0940000000-9255b9c985a91916d4ac
Sample Comments 78% ee
Source of Spectrum ACI-55-SM18-2b (DOI: 10.1002/anie.201609110)
Wiley ID 1899385