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(Acetoxy)methyl 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]benzoate

View entire compound with spectra: 1 MS (GC)

(Acetoxy)methyl 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]benzoate
SpectraBase Compound ID 2KJABlOes9G
InChI InChI=1S/C27H32N2O9/c1-20(30)37-19-38-27(31)21-2-5-23(6-3-21)29-9-8-24(28-29)22-4-7-25-26(18-22)36-17-15-34-13-11-32-10-12-33-14-16-35-25/h2-7,18H,8-17,19H2,1H3
InChIKey CYHLKWYONOBTDP-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C27H32N2O9
Exact Mass 528.210781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKakpczniRf
Name (Acetoxy)methyl 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]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2O9
InChI InChI=1S/C27H32N2O9/c1-20(30)37-19-38-27(31)21-2-5-23(6-3-21)29-9-8-24(28-29)22-4-7-25-26(18-22)36-17-15-34-13-11-32-10-12-33-14-16-35-25/h2-7,18H,8-17,19H2,1H3
InChIKey CYHLKWYONOBTDP-UHFFFAOYSA-N
Molecular Weight 528.558 g/mol
SMILES c1(N2N=C(CC2)c2cc3OCCOCCOCCOCCOc3cc2)ccc(C(OCOC(=O)C)=O)cc1
SPLASH splash10-0096-9105270000-bd5759287f359a92e178
Source of Spectrum F-55-5219-10
Synonyms (acetyloxy)methyl 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]benzoate
Wiley ID 837850