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20-(4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl)-2,5,8,11,14,17-hexaoxa-tricyclo(13.8.0.0(16,21))tricosa-1(23),15,19,21-tetraen-18-one

View entire compound with spectra: 1 MS (GC)

20-(4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl)-2,5,8,11,14,17-hexaoxa-tricyclo(13.8.0.0(16,21))tricosa-1(23),15,19,21-tetraen-18-one
SpectraBase Compound ID 1Fw86GwIJGo
InChI InChI=1S/C28H33FN2O7/c29-22-1-3-23(4-2-22)31-9-7-30(8-10-31)20-21-19-26(32)38-27-24(21)5-6-25-28(27)37-18-16-35-14-12-33-11-13-34-15-17-36-25/h1-6,19H,7-18,20H2
InChIKey MROYBMQBSCBLHR-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C28H33FN2O7
Exact Mass 528.22718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAbW54WAY8h
Name 20-(4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl)-2,5,8,11,14,17-hexaoxa-tricyclo(13.8.0.0(16,21))tricosa-1(23),15,19,21-tetraen-18-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33FN2O7
InChI InChI=1S/C28H33FN2O7/c29-22-1-3-23(4-2-22)31-9-7-30(8-10-31)20-21-19-26(32)38-27-24(21)5-6-25-28(27)37-18-16-35-14-12-33-11-13-34-15-17-36-25/h1-6,19H,7-18,20H2
InChIKey MROYBMQBSCBLHR-UHFFFAOYSA-N
Molecular Weight 528.577 g/mol
SMILES c12c(C(CN3CCN(CC3)c3ccc(cc3)F)=CC(O2)=O)ccc2c1OCCOCCOCCOCCO2
SPLASH splash10-004i-0000090000-f8678ed7551ed6ebd175
Source of Spectrum Y-47-1132-16
Wiley ID 1667326