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(3S,4R)-5-Methoxy-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman-2-one
SpectraBase Compound ID HkEXMVqXJbv
InChI InChI=1S/C15H17NO5/c1-9(2)7-10-11(8-16(18)19)14-12(20-3)5-4-6-13(14)21-15(10)17/h4-7,10-11H,8H2,1-3H3/t10-,11+/m0/s1
InChIKey FGQVPHJHQJXWIR-WDEREUQCSA-N
Mol Weight 291.3 g/mol
Molecular Formula C15H17NO5
Exact Mass 291.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3RKzpP9XpB
Name (3S,4R)-5-Methoxy-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO5
InChI InChI=1S/C15H17NO5/c1-9(2)7-10-11(8-16(18)19)14-12(20-3)5-4-6-13(14)21-15(10)17/h4-7,10-11H,8H2,1-3H3/t10-,11+/m0/s1
InChIKey FGQVPHJHQJXWIR-WDEREUQCSA-N
Literature Reference DOI 10.1002/asia.201100320
Molecular Weight 291.303 g/mol
SMILES C1([C@]([C@](c2c(cccc2O1)OC)(C[N+](=O)[O-])[H])(C=C(C)C)[H])=O
SPLASH splash10-0015-7960000000-20889ccf067814111774
Source of Spectrum CAJ-6-2255/SM7-7e
Wiley ID 1773085