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

View entire compound with spectra: 1 MS (GC)

(3S,4R)-3-Allyl-4-(nitromethyl)chroman-2-ol
SpectraBase Compound ID DXM7iOreWzY
InChI InChI=1S/C13H15NO4/c1-2-5-10-11(8-14(16)17)9-6-3-4-7-12(9)18-13(10)15/h2-4,6-7,10-11,13,15H,1,5,8H2/t10-,11-,13?/m0/s1
InChIKey GSDZHMHTBRHPJF-WAQLSPKVSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiarGJB9q3l
Name (3S,4R)-3-Allyl-4-(nitromethyl)chroman-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-2-5-10-11(8-14(16)17)9-6-3-4-7-12(9)18-13(10)15/h2-4,6-7,10-11,13,15H,1,5,8H2/t10-,11-,13?/m0/s1
InChIKey GSDZHMHTBRHPJF-WAQLSPKVSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 249.266 g/mol
SMILES OC1[C@]([C@](c2ccccc2O1)(C[N+](=O)[O-])[H])(CC=C)[H]
SPLASH splash10-0awc-5910000000-0607442e4fb7d85cdb07
Source of Spectrum ASC-352-2869/SM3-3d
Wiley ID 1764134