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(3R,4S)-3-Ethyl-4-(nitromethyl)chroman-2-ol

View entire compound with spectra: 1 MS (GC)

(3R,4S)-3-Ethyl-4-(nitromethyl)chroman-2-ol
SpectraBase Compound ID 6iC90gOclzi
InChI InChI=1S/C12H15NO4/c1-2-8-10(7-13(15)16)9-5-3-4-6-11(9)17-12(8)14/h3-6,8,10,12,14H,2,7H2,1H3/t8-,10+,12?/m1/s1
InChIKey CFJLRSUJSFZKCG-RWPGAEDHSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0T4tNIsrv4
Name (3R,4S)-3-Ethyl-4-(nitromethyl)chroman-2-ol
Alternate Name(s) (3R,4S)-3-ethyl-4-(nitromethyl)-3,4-dihydro-2H-1-benzopyran-2-ol (3R,4S)-3-ethyl-4-(nitromethyl)-3,4-dihydro-2H-chromen-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-2-8-10(7-13(15)16)9-5-3-4-6-11(9)17-12(8)14/h3-6,8,10,12,14H,2,7H2,1H3/t8-,10+,12?/m1/s1
InChIKey CFJLRSUJSFZKCG-RWPGAEDHSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 237.255 g/mol
SMILES OC1[C@@]([C@@](c2ccccc2O1)(C[N+](=O)[O-])[H])(CC)[H]
SPLASH splash10-08ml-2910000000-870e13b787c86d29ee3d
Source of Spectrum ASC-352-2869/SM3-3b
Wiley ID 1764132