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

*Links on SpectraBase are not permalinks.
4-(methoxycarbonyl)-3-oxocyclohex-1-enyl 4-(methylsulfonyl)-2-nitrobenzoate
SpectraBase Compound ID H460F05CaaG
InChI InChI=1S/C16H15NO9S/c1-25-15(19)12-5-3-9(7-14(12)18)26-16(20)11-6-4-10(27(2,23)24)8-13(11)17(21)22/h4,6-8,12H,3,5H2,1-2H3
InChIKey DTDRFBXJGYXWOG-UHFFFAOYSA-N
Mol Weight 397.35 g/mol
Molecular Formula C16H15NO9S
Exact Mass 397.046752 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 Ivg4WqAhU34
Name 4-(methoxycarbonyl)-3-oxocyclohex-1-enyl 4-(methylsulfonyl)-2-nitrobenzoate
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO9S
InChI InChI=1S/C16H15NO9S/c1-25-15(19)12-5-3-9(7-14(12)18)26-16(20)11-6-4-10(27(2,23)24)8-13(11)17(21)22/h4,6-8,12H,3,5H2,1-2H3
InChIKey DTDRFBXJGYXWOG-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 397.354 g/mol
SMILES C1C(C(C=C(C1)OC(c1ccc(cc1[N+](=O)[O-])S(C)(=O)=O)=O)=O)C(OC)=O
SPLASH splash10-00vi-0689000000-047c73901528a704945c
Source of Spectrum CN101671286B
Wiley ID 1861376