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

*Links on SpectraBase are not permalinks.

(R)-5-(1-Nitrobut-3-en-2-yl)benzo[d][1,3]dioxole

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

(R)-5-(1-Nitrobut-3-en-2-yl)benzo[d][1,3]dioxole
SpectraBase Compound ID 9usG5JtHUxT
InChI InChI=1S/C11H11NO4/c1-2-8(6-12(13)14)9-3-4-10-11(5-9)16-7-15-10/h2-5,8H,1,6-7H2/t8-/m0/s1
InChIKey SDTKKGOVCDVNQR-QMMMGPOBSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 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 GtnsnpmDzFz
Name (R)-5-(1-Nitrobut-3-en-2-yl)benzo[D][1,3]dioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.068807834 u
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c1-2-8(6-12(13)14)9-3-4-10-11(5-9)16-7-15-10/h2-5,8H,1,6-7H2/t8-/m0/s1
InChIKey SDTKKGOVCDVNQR-QMMMGPOBSA-N
Molecular Weight 221.212 g/mol
SMILES C1=CC(=CC2=C1OCO2)[C@](C[N+](=O)[O-])(C=C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960809