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(+)-nephthenol
SpectraBase Compound ID DeBnA737oTe
InChI InChI=1S/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m1/s1
InChIKey ZJWQYSDAWSDJRA-ZSAANFQCSA-N
Mol Weight 290.5 g/mol
Molecular Formula C20H34O
Exact Mass 290.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9UOox1Rhxf
Name (+)-nephthenol
Appearance Colorless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.260965714 u
Formula C20H34O
InChI InChI=1S/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m1/s1
InChIKey ZJWQYSDAWSDJRA-ZSAANFQCSA-N
Inlet Type Splitless
Instrument Name Agilent 7890A-5975C GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202110842
Molecular Weight 290.491 g/mol
Optical Rotation [a]D24 = +13.66 (c = 0.03, chloroform)
Quality 863
SMILES OC([C@@]1(C\C=C\(CC\C=C\(CC\C=C\(CC1)C)C)C)[H])(C)C
SPLASH splash10-05mo-9400000000-ef165e105ae5e7687ef8
Source of Spectrum ACI-60-SM80-8 (DOI: 10.1002/anie.202110842)
Wiley ID 1896864