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 |