| SpectraBase Spectrum ID |
GbUOyxQQHz5 |
| Name |
benzoic acid, 4-[[(2E)-tetrahydro-6-[(methylamino)carbonyl]-4-oxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.234827789 u |
| Formula |
C27H35N3O4S |
| InChI |
InChI=1S/C27H35N3O4S/c1-3-34-25(33)20-4-6-21(7-5-20)29-26-30(23(31)13-22(35-26)24(32)28-2)9-8-27-14-17-10-18(15-27)12-19(11-17)16-27/h4-7,17-19,22H,3,8-16H2,1-2H3,(H,28,32)/b29-26+/t17-,18+,19-,22?,27+ |
| InChIKey |
RXHFXIQXXTVTLR-IBKSRKNISA-N |
| Molecular Weight |
497.654 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15906 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11241801; Lab Info: PE; Lab Number: PE-0030128 |
![benzoic acid, 4-[[(2E)-tetrahydro-6-[(methylamino)carbonyl]-4-oxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl](/api/spectrum/GbUOyxQQHz5/structure.png?h=300&w=458 "benzoic acid, 4-[[(2E)-tetrahydro-6-[(methylamino)carbonyl]-4-oxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl")
