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(S)-14-[(2-Methoxyphenoxy)methyl]-2,3:4,5-di(1,2-naphtho)-20-crown-6
SpectraBase Compound ID 5PdP5qF6jxN
InChI InChI=1S/C38H40O8/c1-39-33-12-6-7-13-34(33)46-27-30-26-42-19-18-40-21-24-44-35-16-14-28-8-2-4-10-31(28)37(35)38-32-11-5-3-9-29(32)15-17-36(38)45-25-22-41-20-23-43-30/h2-17,30H,18-27H2,1H3/t30-/m0/s1
InChIKey OMQIJEUVLLKBGY-PMERELPUSA-N
Mol Weight 624.7 g/mol
Molecular Formula C38H40O8
Exact Mass 624.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KobqBaaV85g
Name (S)-14-[(2-Methoxyphenoxy)methyl]-2,3:4,5-di(1,2-naphtho)-20-crown-6
Appearance Pale yellow oil
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Formula C38H40O8
InChI InChI=1S/C38H40O8/c1-39-33-12-6-7-13-34(33)46-27-30-26-42-19-18-40-21-24-44-35-16-14-28-8-2-4-10-31(28)37(35)38-32-11-5-3-9-29(32)15-17-36(38)45-25-22-41-20-23-43-30/h2-17,30H,18-27H2,1H3/t30-/m0/s1
InChIKey OMQIJEUVLLKBGY-PMERELPUSA-N
Instrument Name MAT-212
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.a02
Molecular Weight 624.730 g/mol
Optical Rotation [a]D20 = -73.1 (c = 1.0, THF)
SMILES C1OC[C@](OCCOCCOc2ccc3ccccc3c2-c2c3ccccc3ccc2OCCOC1)(COc1ccccc1OC)[H]
SPLASH splash10-05bb-9601005000-5e32dde1b1912273d60c
Sample Comments 98.5% ee
Source of Spectrum ARK-2011-29-(aS,S)-11c
Wiley ID 1864302