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(3S,4S)-8-Allyl-4-(nitromethyl)chroman-3-carbaldehyde
SpectraBase Compound ID 5ABqv3luVdU
InChI InChI=1S/C14H15NO4/c1-2-4-10-5-3-6-12-13(7-15(17)18)11(8-16)9-19-14(10)12/h2-3,5-6,8,11,13H,1,4,7,9H2/t11-,13+/m1/s1
InChIKey HLDCHBWTQLAYIY-YPMHNXCESA-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 AppVayrclWd
Name (3S,4S)-8-Allyl-4-(nitromethyl)chroman-3-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-2-4-10-5-3-6-12-13(7-15(17)18)11(8-16)9-19-14(10)12/h2-3,5-6,8,11,13H,1,4,7,9H2/t11-,13+/m1/s1
InChIKey HLDCHBWTQLAYIY-YPMHNXCESA-N
Literature Reference DOI 10.1002/adsc.201200472
Molecular Weight 261.277 g/mol
SMILES c1cc(c2c(c1)[C@]([C@@](CO2)(C=O)[H])(C[N+](=O)[O-])[H])CC=C
SPLASH splash10-03di-1960000000-2ecc1b02f0c6d4d8af1a
Source of Spectrum ASC-354-2629/SM4-3f
Wiley ID 1761506