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

*Links on SpectraBase are not permalinks.

2C-C-Nbome

View entire compound with spectra: 2 FTIR, 1 Raman, 7 MS (GC), and 2 MS (LC)

2C-C-Nbome
SpectraBase Compound ID 8uCDIgr65vd
InChI InChI=1S/C18H22ClNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey FJFPOGCVVLUYAQ-UHFFFAOYSA-N
Mol Weight 335.83 g/mol
Molecular Formula C18H22ClNO3
Exact Mass 335.128821 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Lc1SQdOcRkk
Name 2C-C-Nbome
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.128821269 u
Formula C18H22ClNO3
InChI InChI=1S/C18H22ClNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey FJFPOGCVVLUYAQ-UHFFFAOYSA-N
Molecular Weight 335.831 g/mol
SMILES N(CCC1=CC(=C(C=C1OC)Cl)OC)CC=1C(=CC=CC1)OC
Spectrum/Structure Validation Score (Raman) 0.896152