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2,2,8-Trimethyl-5-nitrochroman-4-one
SpectraBase Compound ID 3FtzmulMT7p
InChI InChI=1S/C12H13NO4/c1-7-4-5-8(13(15)16)10-9(14)6-12(2,3)17-11(7)10/h4-5H,6H2,1-3H3
InChIKey FBVWYVGWHLCNCB-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzyL5vyj6zg
Name 2,2,8-Trimethyl-5-nitrochroman-4-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-7-4-5-8(13(15)16)10-9(14)6-12(2,3)17-11(7)10/h4-5H,6H2,1-3H3
InChIKey FBVWYVGWHLCNCB-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890 N-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202103222
Molecular Weight 235.239 g/mol
SMILES Cc1ccc(c2c1OC(CC2=O)(C)C)[N+](=O)[O-]
SPLASH splash10-00gj-2920000000-9bb88ea1ea0e44f8f11d
Source of Spectrum ACI-60-SM27-2l
Wiley ID 1882506