JP104

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Systematic / IUPAC Name: 3'-Carbamoyl-3-biphenylyl 10-undecyn-1-ylcarbamate

ID: Reference5515

Other Names: [3-(3-Carbamoylphenyl)phenyl] N-undec-10-ynylcarbamate;
3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate;
Carbamic acid, N-10-undecyn-1-yl, 3'-(aminocarbonyl)[1,1'-biphenyl]-3-yl ester

Formula: C25H30N2O3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

JP104 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/16/2016 9:25:12 AM
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Identificators

InChI InChI=1S/C25H30N2O3/c1-2-3-4-5-6-7-8-9-10-17-27-25(29)30-23-16-12-14-21(19-23)20-13-11-15-22(18-20)24(26)28/h1,11-16,18-19H,3-10,17H2,(H2,26,28)(H,27,29)
InChI Key BCKBOXGAYIOHDQ-UHFFFAOYSA-N
Canonical SMILES C#CCCCCCCCCCNC(=O)OC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)N
CAS 887264451
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Other Names [3-(3-Carbamoylphenyl)phenyl] N-undec-10-ynylcarbamate;
3'-Carbamoyl-biphenyl-3-yl-undecynecarbamate;
Carbamic acid, N-10-undecyn-1-yl, 3'-(aminocarbonyl)[1,1'-biphenyl]-3-yl ester

In Other Databases

ChemSpider 26458551
ChEMBL CHEMBL3099391
PubChem 24860363