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4-[3-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

View entire compound with spectra: 1 MS (GC)

4-[3-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID 4HxPOcPkM5y
InChI InChI=1S/C24H28N2O7/c27-24(28)18-1-4-20(5-2-18)26-8-7-21(25-26)19-3-6-22-23(17-19)33-16-14-31-12-10-29-9-11-30-13-15-32-22/h1-6,17H,7-16H2,(H,27,28)
InChIKey PGRXPZFIXHVPNF-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C24H28N2O7
Exact Mass 456.189651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Fl2FICmdTT
Name 4-[3-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N2O7
InChI InChI=1S/C24H28N2O7/c27-24(28)18-1-4-20(5-2-18)26-8-7-21(25-26)19-3-6-22-23(17-19)33-16-14-31-12-10-29-9-11-30-13-15-32-22/h1-6,17H,7-16H2,(H,27,28)
InChIKey PGRXPZFIXHVPNF-UHFFFAOYSA-N
Molecular Weight 456.495 g/mol
SMILES OC(c1ccc(N2N=C(c3cc4OCCOCCOCCOCCOc4cc3)CC2)cc1)=O
SPLASH splash10-0006-9200000000-d02f02270f49922057d3
Source of Spectrum F-55-5218-9
Wiley ID 837851