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(S)-12-[(2-Methoxyphenoxy)methyl]-2,3-naphtho-18-crown-6
SpectraBase Compound ID 6x7U3ZBoF6V
InChI InChI=1S/C28H34O8/c1-29-25-8-4-5-9-26(25)36-21-24-20-32-11-10-30-13-16-34-27-18-22-6-2-3-7-23(22)19-28(27)35-17-14-31-12-15-33-24/h2-9,18-19,24H,10-17,20-21H2,1H3/t24-/m0/s1
InChIKey MQHVPJUUGACQQG-DEOSSOPVSA-N
Mol Weight 498.6 g/mol
Molecular Formula C28H34O8
Exact Mass 498.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HuOQ6wQcid
Name (S)-12-[(2-Methoxyphenoxy)methyl]-2,3-naphtho-18-crown-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34O8
InChI InChI=1S/C28H34O8/c1-29-25-8-4-5-9-26(25)36-21-24-20-32-11-10-30-13-16-34-27-18-22-6-2-3-7-23(22)19-28(27)35-17-14-31-12-15-33-24/h2-9,18-19,24H,10-17,20-21H2,1H3/t24-/m0/s1
InChIKey MQHVPJUUGACQQG-DEOSSOPVSA-N
Instrument Name MAT-212
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.a02
Molecular Weight 498.572 g/mol
Optical Rotation [a]D20 = -6.0 (c = 1.5, CHCl3)
SMILES C1OCCOCCOc2c(OCCOCCO[C@@]1(COc1c(cccc1)OC)[H])cc1c(c2)cccc1
SPLASH splash10-000b-5900100000-218415af97edca4e4651
Sample Comments 95% ee
Source of Spectrum ARK-2011-28-(S)-11b
Wiley ID 1864303