4-{[(4aR,7aS)-4-(Cyclopropylmethyl)-3-oxohexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]methyl}benzoic acid
12883
Reference
4-{[(4aR,7aS)-4-(Cyclopropylmethyl)-3-oxohexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(4aR,7aS)-4-(Cyclopropylmethyl)-3-oxo-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]benzoic acid
ID: Reference12883
Other Names: NAT37-482853
Formula: C18H22N2O4
Spectral Data
4-{[(4aR,7aS)-4-(Cyclopropylmethyl)-3-oxohexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-yl]methyl}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 | 1 |
| No. of Spectra | 1625 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/16/2023 9:08:40 AM |
Identificators
| InChI | InChI=1S/C18H22N2O4/c21-17-11-24-16-10-19(9-15(16)20(17)8-13-1-2-13)7-12-3-5-14(6-4-12)18(22)23/h3-6,13,15-16H,1-2,7-11H2,(H,22,23)/t15-,16+/m1/s1 |
| InChI Key | JFGAAZLRVMBFNQ-CVEARBPZSA-N |
| Canonical SMILES | C1CC1CN2C3CN(CC3OCC2=O)CC4=CC=C(C=C4)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT37-482853 |