For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3S,4R)-6-Chloro-3-isopropyl-4-(nitromethyl)chroman-2-one
SpectraBase Compound ID 3Vk2T0xTSbo
InChI InChI=1S/C13H14ClNO4/c1-7(2)12-10(6-15(17)18)9-5-8(14)3-4-11(9)19-13(12)16/h3-5,7,10,12H,6H2,1-2H3/t10-,12-/m0/s1
InChIKey MNNJGUBJYLJGIV-JQWIXIFHSA-N
Mol Weight 283.71 g/mol
Molecular Formula C13H14ClNO4
Exact Mass 283.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HR6fWXo7BRZ
Name (3S,4R)-6-Chloro-3-isopropyl-4-(nitromethyl)chroman-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClNO4
InChI InChI=1S/C13H14ClNO4/c1-7(2)12-10(6-15(17)18)9-5-8(14)3-4-11(9)19-13(12)16/h3-5,7,10,12H,6H2,1-2H3/t10-,12-/m0/s1
InChIKey MNNJGUBJYLJGIV-JQWIXIFHSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 283.711 g/mol
SMILES C1(Oc2ccc(cc2[C@](C[N+](=O)[O-])([C@@]1(C(C)C)[H])[H])Cl)=O
SPLASH splash10-00s6-2890000000-c33cc2d70b872ef5c7d2
Source of Spectrum ASC-352-2869/SM13-6i
Wiley ID 1764155