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(3R,4S)-3-Ethyl-4-(nitromethyl)chroman

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

(3R,4S)-3-Ethyl-4-(nitromethyl)chroman
SpectraBase Compound ID 2anzadlSqAW
InChI InChI=1S/C12H15NO3/c1-2-9-8-16-12-6-4-3-5-10(12)11(9)7-13(14)15/h3-6,9,11H,2,7-8H2,1H3/t9-,11-/m0/s1
InChIKey VVXQAHKCGQNKEQ-ONGXEEELSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C38J4zWDaxf
Name (3R,4S)-3-Ethyl-4-(nitromethyl)chroman
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.105193344 u
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-2-9-8-16-12-6-4-3-5-10(12)11(9)7-13(14)15/h3-6,9,11H,2,7-8H2,1H3/t9-,11-/m0/s1
InChIKey VVXQAHKCGQNKEQ-ONGXEEELSA-N
Molecular Weight 221.256 g/mol
SMILES C1[C@@]([C@@](C=2C=CC=CC2O1)(C[N+](=O)[O-])[H])(CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887902