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4-(4,5-Dihydro-1-phenyl-3-(2-(piperidin-1-yl)ethyl)-1H-pyrazol-5-yl)-2-methoxy-6-((piperidin-1-yl)methyl)phenol
SpectraBase Compound ID A3Qu9Ar6PRQ
InChI InChI=1S/C29H40N4O2/c1-35-28-20-23(19-24(29(28)34)22-32-16-9-4-10-17-32)27-21-25(13-18-31-14-7-3-8-15-31)30-33(27)26-11-5-2-6-12-26/h2,5-6,11-12,19-20,27,34H,3-4,7-10,13-18,21-22H2,1H3
InChIKey XGASPVSHOZCLCQ-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C29H40N4O2
Exact Mass 476.315127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ceyaRfRDUA
Name 4-(4,5-Dihydro-1-phenyl-3-(2-(piperidin-1-yl)ethyl)-1H-pyrazol-5-yl)-2-methoxy-6-((piperidin-1-yl)methyl)phenol
Appearance Pale-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40N4O2
InChI InChI=1S/C29H40N4O2/c1-35-28-20-23(19-24(29(28)34)22-32-16-9-4-10-17-32)27-21-25(13-18-31-14-7-3-8-15-31)30-33(27)26-11-5-2-6-12-26/h2,5-6,11-12,19-20,27,34H,3-4,7-10,13-18,21-22H2,1H3
InChIKey XGASPVSHOZCLCQ-UHFFFAOYSA-N
Instrument Name GC-MS QP-1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3055
Molecular Weight 476.665 g/mol
SMILES Oc1c(cc(cc1CN1CCCCC1)C1N(N=C(C1)CCN1CCCCC1)c1ccccc1)OC
SPLASH splash10-0002-9000000000-521be29252895a5c0f27
Source of Spectrum Y-55-330-5
Wiley ID 1878815