For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-Apdb 2pe

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-Apdb 2pe
SpectraBase Compound ID 8CsUcjhi5xp
InChI InChI=1S/C21H35NO/c1-4-6-8-13-22(14-9-7-5-2)18(3)16-19-10-11-21-20(17-19)12-15-23-21/h10-11,17-18H,4-9,12-16H2,1-3H3
InChIKey GQOIIUWZDFQCBW-UHFFFAOYSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JdUUCfjqPNA
Name 5-Apdb 2pe
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-4-6-8-13-22(14-9-7-5-2)18(3)16-19-10-11-21-20(17-19)12-15-23-21/h10-11,17-18H,4-9,12-16H2,1-3H3
InChIKey GQOIIUWZDFQCBW-UHFFFAOYSA-N
Molecular Weight 317.517 g/mol
SMILES C1=2C(=CC(CC(N(CCCCC)CCCCC)C)=CC2)CCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962337