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(3S,4R)-3-Isopropyl-4-(nitromethyl)chroman
SpectraBase Compound ID K0FuoJMPEKK
InChI InChI=1S/C13H17NO3/c1-9(2)12-8-17-13-6-4-3-5-10(13)11(12)7-14(15)16/h3-6,9,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey YWOKDHZEADDIAU-RYUDHWBXSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzLIz7kPkWY
Name (3S,4R)-3-Isopropyl-4-(nitromethyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-9(2)12-8-17-13-6-4-3-5-10(13)11(12)7-14(15)16/h3-6,9,11-12H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey YWOKDHZEADDIAU-RYUDHWBXSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 235.283 g/mol
SMILES C1Oc2ccccc2[C@](C[N+](=O)[O-])([C@@]1(C(C)C)[H])[H]
SPLASH splash10-00lv-6900000000-4c249b955fc412864245
Source of Spectrum ASC-352-2869/SM9-5f
Wiley ID 1764147