SpectraBase Spectrum ID |
BmwEYFHpBCJ |
Name |
1,3,5-triazine-2,4,6-triacetic acid, alpha~2~,alpha~4~,alpha~6~-tris[[(1,1-dimethylethyl)oxidanyl]oxidanylidenemethyl]-alpha~2~,alpha~4~- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
813.364380695 u |
Formula |
C36H55N5O16 |
InChI |
InChI=1S/C36H55N5O16/c1-29(2,3)52-21(42)19(22(43)53-30(4,5)6)20-37-23(35(40(48)49,25(44)54-31(7,8)9)26(45)55-32(10,11)12)39-24(38-20)36(41(50)51,27(46)56-33(13,14)15)28(47)57-34(16,17)18/h19H,1-18H3 |
InChIKey |
YNMFBRCADCCVMY-UHFFFAOYSA-N |
Molecular Weight |
813.855 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_528 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/8253055; Lab Info: AS; Lab Number: AS-0000029 |
Temperature |
29.85 °C |