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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kqi2jlVw8De
Name (3R,4S)-3-Ethyl-4-(nitromethyl)chroman
Alternate Name(s) (3R,4S)-3-ethyl-4-(nitromethyl)-3,4-dihydro-2H-1-benzopyran (3R,4S)-3-ethyl-4-(nitromethyl)chromane (3R,4S)-3-ethyl-4-(nitromethyl)-3,4-dihydro-2H-chromene
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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
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 221.256 g/mol
SMILES C1[C@@]([C@@](c2ccccc2O1)(C[N+](=O)[O-])[H])(CC)[H]
SPLASH splash10-000t-2900000000-ca0f626367149dae4982
Source of Spectrum ASC-352-2869/SM8-5b
Wiley ID 1764143