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(3R,4S)-6-Bromo-3-isopropyl-4-(nitromethyl)chroman
SpectraBase Compound ID CzRd164xLXL
InChI InChI=1S/C13H16BrNO3/c1-8(2)12-7-18-13-4-3-9(14)5-10(13)11(12)6-15(16)17/h3-5,8,11-12H,6-7H2,1-2H3/t11-,12-/m1/s1
InChIKey HJRDBLMJNVUXGJ-VXGBXAGGSA-N
Mol Weight 314.18 g/mol
Molecular Formula C13H16BrNO3
Exact Mass 313.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aEnTzdhZ1a
Name (3R,4S)-6-Bromo-3-isopropyl-4-(nitromethyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16BrNO3
InChI InChI=1S/C13H16BrNO3/c1-8(2)12-7-18-13-4-3-9(14)5-10(13)11(12)6-15(16)17/h3-5,8,11-12H,6-7H2,1-2H3/t11-,12-/m1/s1
InChIKey HJRDBLMJNVUXGJ-VXGBXAGGSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 314.179 g/mol
SMILES C1Oc2ccc(cc2[C@@](C[N+](=O)[O-])([C@]1(C(C)C)[H])[H])Br
SPLASH splash10-02mi-2393000000-0b31e31cd6e03f47fdc6
Source of Spectrum ASC-352-2869/SM10-5h
Wiley ID 1764149