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(3R,4S)-3-Butyl-4-(nitromethyl)chroman

View entire compound with spectra: 1 MS (GC)

(3R,4S)-3-Butyl-4-(nitromethyl)chroman
SpectraBase Compound ID 9V1CgYTO9f1
InChI InChI=1S/C14H19NO3/c1-2-3-6-11-10-18-14-8-5-4-7-12(14)13(11)9-15(16)17/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3/t11-,13-/m0/s1
InChIKey CHGRWMGGDGWVJC-AAEUAGOBSA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFt5d3nKlLe
Name (3R,4S)-3-Butyl-4-(nitromethyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-2-3-6-11-10-18-14-8-5-4-7-12(14)13(11)9-15(16)17/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3/t11-,13-/m0/s1
InChIKey CHGRWMGGDGWVJC-AAEUAGOBSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 249.310 g/mol
SMILES C1Oc2ccccc2[C@]([C@]1(CCCC)[H])(C[N+](=O)[O-])[H]
SPLASH splash10-0002-1910000000-91deb77924a03e8d4dae
Source of Spectrum ASC-352-2869/SM8-5c
Wiley ID 1764144