1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-[3-(trifluoromethyl)phenyl]urea

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Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-4-(4-Benzylpiperidin-1-yl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference12696

Other Names: NAT17-347032

Formula: C26H30F3N3O4

Spectral Data

1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-[3-(trifluoromethyl)phenyl]urea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2200
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/3/2023 11:59:41 AM
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Identificators

InChI InChI=1S/C26H30F3N3O4/c27-26(28,29)18-7-4-8-19(14-18)30-25(34)31-21-20-15-35-24(36-20)22(23(21)33)32-11-9-17(10-12-32)13-16-5-2-1-3-6-16/h1-8,14,17,20-24,33H,9-13,15H2,(H2,30,31,34)/t20-,21-,22-,23+,24-/m1/s1
InChI Key UQSRLRMMNUNLNO-ZSXJVMONSA-N
Canonical SMILES C1CN(CCC1CC2=CC=CC=C2)C3C(C(C4COC3O4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)O
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Other Names NAT17-347032

In Other Databases

PubChem 45360554
ChemSpider 21385904