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4-Methyl-8-nitro-2-oxo-2H-chromen-7-yl octane-1-sulfonate
SpectraBase Compound ID 5HnBOBH5XDs
InChI InChI=1S/C18H23NO7S/c1-3-4-5-6-7-8-11-27(23,24)26-15-10-9-14-13(2)12-16(20)25-18(14)17(15)19(21)22/h9-10,12H,3-8,11H2,1-2H3
InChIKey YXWQEOGNOZCJKH-UHFFFAOYSA-N
Mol Weight 397.44 g/mol
Molecular Formula C18H23NO7S
Exact Mass 397.119523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEgbQoozX8I
Name 4-Methyl-8-nitro-2-oxo-2H-chromen-7-yl octane-1-sulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO7S
InChI InChI=1S/C18H23NO7S/c1-3-4-5-6-7-8-11-27(23,24)26-15-10-9-14-13(2)12-16(20)25-18(14)17(15)19(21)22/h9-10,12H,3-8,11H2,1-2H3
InChIKey YXWQEOGNOZCJKH-UHFFFAOYSA-N
Molecular Weight 397.442 g/mol
SMILES C(CCCCCCC)S(=O)(=O)Oc1ccc2C(=CC(Oc2c1[N+](=O)[O-])=O)C
SPLASH splash10-00di-6590000000-5e4a36d7d0a49a61402c
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.131, 2017, P.29-47
Wiley ID 1816434