| SpectraBase Spectrum ID |
KJUwacIXfFm |
| Name |
Benzoic acid, 2-[[1-(dimethoxyphosphinyl)-2(1H)-isoquinolinyl]carbonyl]-, ethyl ester |
| CAS Registry Number |
81750-91-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22NO6P |
| InChI |
InChI=1S/C21H22NO6P/c1-4-28-21(24)18-12-8-7-11-17(18)19(23)22-14-13-15-9-5-6-10-16(15)20(22)29(25,26-2)27-3/h5-14,20H,4H2,1-3H3 |
| InChIKey |
YZBCSMBRTPUJGS-UHFFFAOYSA-N |
| Molecular Weight |
415.382 g/mol |
| SMILES |
C1(N(C=Cc2ccccc12)C(c1c(C(=O)OCC)cccc1)=O)P(=O)(OC)OC |
| SPLASH |
splash10-002b-0900000000-488009f299bf2a024452 |
| Source of Spectrum |
AJ-57-2190-1 |
| Synonyms |
Dimethyl 2-[o-(ethoxycarbonyl)benzoyl]-1,2-dihydro-1-isoquinolylphosphonate
Ethyl 2-[(1-(dimethoxyphosphoryl)-2(1H)-isoquinolinyl)carbonyl]benzoate |
| Wiley ID |
1375940 |
![Benzoic acid, 2-[[1-(dimethoxyphosphinyl)-2(1H)-isoquinolinyl]carbonyl]-, ethyl ester](/api/spectrum/KJUwacIXfFm/structure.png?h=300&w=458 "Benzoic acid, 2-[[1-(dimethoxyphosphinyl)-2(1H)-isoquinolinyl]carbonyl]-, ethyl ester")
