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(3S,4R)-3-(2-Methylprop-1-en-1-yl)-4-(nitromethyl)chroman-2-one
SpectraBase Compound ID LPuHnYth14Y
InChI InChI=1S/C14H15NO4/c1-9(2)7-11-12(8-15(17)18)10-5-3-4-6-13(10)19-14(11)16/h3-7,11-12H,8H2,1-2H3/t11-,12-/m0/s1
InChIKey YWPRTJHFGFDPND-RYUDHWBXSA-N
Mol Weight 261.28 g/mol
Molecular Formula C14H15NO4
Exact Mass 261.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClpjnCgOhSL
Name (3S,4R)-3-(2-Methylprop-1-en-1-yl)-4-(nitromethyl)chroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-9(2)7-11-12(8-15(17)18)10-5-3-4-6-13(10)19-14(11)16/h3-7,11-12H,8H2,1-2H3/t11-,12-/m0/s1
InChIKey YWPRTJHFGFDPND-RYUDHWBXSA-N
Literature Reference DOI 10.1002/asia.201100320
Molecular Weight 261.277 g/mol
SMILES C1([C@]([C@](c2ccccc2O1)(C[N+](=O)[O-])[H])(C=C(C)C)[H])=O
SPLASH splash10-05te-8910000000-2343ba2f208d3cfddfde
Source of Spectrum CAJ-6-2255/SM5-7a
Wiley ID 1773081