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(3S,4R)-6-Chloro-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman-2-one
SpectraBase Compound ID 28nYwiuYLW2
InChI InChI=1S/C14H14ClNO4/c1-8(2)5-11-12(7-16(18)19)10-6-9(15)3-4-13(10)20-14(11)17/h3-6,11-12H,7H2,1-2H3/t11-,12-/m0/s1
InChIKey ZHERZEHENXKXLY-RYUDHWBXSA-N
Mol Weight 295.72 g/mol
Molecular Formula C14H14ClNO4
Exact Mass 295.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJlpiYtei9K
Name (3S,4R)-6-Chloro-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClNO4
InChI InChI=1S/C14H14ClNO4/c1-8(2)5-11-12(7-16(18)19)10-6-9(15)3-4-13(10)20-14(11)17/h3-6,11-12H,7H2,1-2H3/t11-,12-/m0/s1
InChIKey ZHERZEHENXKXLY-RYUDHWBXSA-N
Literature Reference DOI 10.1002/asia.201100320
Molecular Weight 295.722 g/mol
SMILES C1([C@]([C@](c2cc(ccc2O1)Cl)(C[N+](=O)[O-])[H])(C=C(C)C)[H])=O
SPLASH splash10-00ym-7950000000-40152f03e29ea079ae9f
Source of Spectrum CAJ-6-2255/SM8-7h
Wiley ID 1773088