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(3S,4R)-3-Isopropyl-8-methoxy-4-(nitromethyl)chroman
SpectraBase Compound ID IlS4M3bqdkX
InChI InChI=1S/C14H19NO4/c1-9(2)12-8-19-14-10(11(12)7-15(16)17)5-4-6-13(14)18-3/h4-6,9,11-12H,7-8H2,1-3H3/t11-,12-/m0/s1
InChIKey HWZPAZWKBHZIRI-RYUDHWBXSA-N
Mol Weight 265.31 g/mol
Molecular Formula C14H19NO4
Exact Mass 265.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TO0GcRjyy
Name (3S,4R)-3-Isopropyl-8-methoxy-4-(nitromethyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO4
InChI InChI=1S/C14H19NO4/c1-9(2)12-8-19-14-10(11(12)7-15(16)17)5-4-6-13(14)18-3/h4-6,9,11-12H,7-8H2,1-3H3/t11-,12-/m0/s1
InChIKey HWZPAZWKBHZIRI-RYUDHWBXSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 265.309 g/mol
SMILES C1Oc2c(cccc2[C@](C[N+](=O)[O-])([C@@]1(C(C)C)[H])[H])OC
SPLASH splash10-016r-1960000000-fd768c2f3981761a65cb
Source of Spectrum ASC-352-2869/SM10-5g
Wiley ID 1764148