| SpectraBase Spectrum ID |
7r736qv6CT8 |
| Name |
2H-Benzo[A]quinolizine-1-propanoic acid, 1,3,4,6,7,11B-hexahydro-9,10-dimethoxy-2-(2-methoxy-2-oxoethyl)-, methyl ester, (1.alpha.,2.alpha.,11B.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.215137716 u |
| Formula |
C22H31NO6 |
| InChI |
InChI=1S/C22H31NO6/c1-26-18-11-14-7-9-23-10-8-15(12-21(25)29-4)16(5-6-20(24)28-3)22(23)17(14)13-19(18)27-2/h11,13,15-16,22H,5-10,12H2,1-4H3/t15-,16+,22-/m0/s1 |
| InChIKey |
JXKZYRMQXVVHJB-DMPWYTOCSA-N |
| Molecular Weight |
405.491 g/mol |
| SMILES |
C1=2[C@]3(N(CC[C@]([C@]3(CCC(=O)OC)[H])(CC(=O)OC)[H])CCC1=CC(=C(C2)OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857179 |
![2H-Benzo[a]quinolizine-1-propanoic acid, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(2-methoxy-2-oxoethyl)-, methyl ester, (1.alpha.,2.alpha.,11b.beta.)-](/api/spectrum/7r736qv6CT8/structure.png?h=300&w=458 "2H-Benzo[a]quinolizine-1-propanoic acid, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(2-methoxy-2-oxoethyl)-, methyl ester, (1.alpha.,2.alpha.,11b.beta.)-")
