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(3S,4R)-6-Methyl-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman-2-one
SpectraBase Compound ID 2N6o7D1nMM7
InChI InChI=1S/C15H17NO4/c1-9(2)6-12-13(8-16(18)19)11-7-10(3)4-5-14(11)20-15(12)17/h4-7,12-13H,8H2,1-3H3/t12-,13-/m0/s1
InChIKey RXIFFKUGNCWVJK-STQMWFEESA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAReDTxyetc
Name (3S,4R)-6-Methyl-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-9(2)6-12-13(8-16(18)19)11-7-10(3)4-5-14(11)20-15(12)17/h4-7,12-13H,8H2,1-3H3/t12-,13-/m0/s1
InChIKey RXIFFKUGNCWVJK-STQMWFEESA-N
Literature Reference DOI 10.1002/asia.201100320
Molecular Weight 275.304 g/mol
SMILES C1([C@]([C@](c2cc(ccc2O1)C)(C[N+](=O)[O-])[H])(C=C(C)C)[H])=O
SPLASH splash10-0092-4950000000-b40b7fed7dab09a57446
Source of Spectrum CAJ-6-2255/SM6-7c
Wiley ID 1773083