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(3S,4R)-3-Benzyl-4-(nitromethyl)chroman
SpectraBase Compound ID 9sadnxAdYYv
InChI InChI=1S/C17H17NO3/c19-18(20)11-16-14(10-13-6-2-1-3-7-13)12-21-17-9-5-4-8-15(16)17/h1-9,14,16H,10-12H2/t14-,16-/m1/s1
InChIKey WYRUBFAIBWHLJZ-GDBMZVCRSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkqNvdjoGj6
Name (3S,4R)-3-Benzyl-4-(nitromethyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c19-18(20)11-16-14(10-13-6-2-1-3-7-13)12-21-17-9-5-4-8-15(16)17/h1-9,14,16H,10-12H2/t14-,16-/m1/s1
InChIKey WYRUBFAIBWHLJZ-GDBMZVCRSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 283.327 g/mol
SMILES C1Oc2c([C@](C[N+](=O)[O-])([C@@]1(Cc1ccccc1)[H])[H])cccc2
SPLASH splash10-0016-7970000000-1aee37a29b6597dc9804
Source of Spectrum ASC-352-2869/SM9-5e
Wiley ID 1764146