3-{[(1R,9S)-11-(4-Methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]carbamoyl}benzoic acid
13197
Reference
3-{[(1R,9S)-11-(4-Methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]carbamoyl}benzoic acid Structure
Systematic / IUPAC Name: 3-[[(1R,9S)-11-(4-Methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]carbamoyl]benzoic acid
ID: Reference13197
Other Names: NAT11-274690
Formula: C27H25N3O6
Spectral Data
3-{[(1R,9S)-11-(4-Methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]carbamoyl}benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 2 |
| No. of Spectra | 3424 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/21/2024 1:41:51 PM |
Identificators
| InChI | InChI=1S/C27H25N3O6/c1-36-21-7-5-17(6-8-21)25(32)29-13-16-11-20(15-29)23-10-9-22(26(33)30(23)14-16)28-24(31)18-3-2-4-19(12-18)27(34)35/h2-10,12,16,20H,11,13-15H2,1H3,(H,28,31)(H,34,35)/t16-,20+/m0/s1 |
| InChI Key | XTUKLPLHFZSTPJ-OXJNMPFZSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C(=O)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)NC(=O)C5=CC(=CC=C5)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT11-274690 |