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

*Links on SpectraBase are not permalinks.

(1S,2R)-1-Nitrobut-3-ene-1,2-diyl dibenzene

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

(1S,2R)-1-Nitrobut-3-ene-1,2-diyl dibenzene
SpectraBase Compound ID AEuTrvchXYu
InChI InChI=1S/C16H15NO2/c1-2-15(13-9-5-3-6-10-13)16(17(18)19)14-11-7-4-8-12-14/h2-12,15-16H,1H2/t15-,16-/m1/s1
InChIKey ZCDVIWKJXFPBAV-HZPDHXFCSA-N
Mol Weight 253.3 g/mol
Molecular Formula C16H15NO2
Exact Mass 253.110279 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 6pdfUZp6NBQ
Name (1S,2R)-1-Nitrobut-3-ene-1,2-diyl dibenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.110278725 u
Formula C16H15NO2
InChI InChI=1S/C16H15NO2/c1-2-15(13-9-5-3-6-10-13)16(17(18)19)14-11-7-4-8-12-14/h2-12,15-16H,1H2/t15-,16-/m1/s1
InChIKey ZCDVIWKJXFPBAV-HZPDHXFCSA-N
Molecular Weight 253.301 g/mol
SMILES C=1C=C(C=CC1)[C@@](C=C)([C@]([N+](=O)[O-])(C1=CC=CC=C1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848503