| SpectraBase Spectrum ID |
1IoQq7VsZ9b |
| Name |
(3S,6S,7ar)-6-Benzyl-3-tert-butyl-1,6,7,7A-tetrahydro-5-oxopyrrolo[1,2-C]oxazolidine-7A-carboxylic acid 7A-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.178358285 u |
| Formula |
C19H25NO4 |
| InChI |
InChI=1S/C19H25NO4/c1-18(2,3)16-20-15(21)14(10-13-8-6-5-7-9-13)11-19(20,12-24-16)17(22)23-4/h5-9,14,16H,10-12H2,1-4H3/t14-,16-,19+/m0/s1 |
| InChIKey |
ZABHWQGNDRRZLC-URLQWDBASA-N |
| Molecular Weight |
331.412 g/mol |
| SMILES |
[C@@]12(N(C(=O)[C@](C2)(CC2=CC=CC=C2)[H])[C@](C(C)(C)C)(OC1)[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900659 |
![(3S,6S,7aR)-6-Benzyl-3-tert-butyl-1,6,7,7a-tetrahydro-5-oxopyrrolo[1,2-c]oxazolidine-7a-carboxylic acid 7a-methyl ester](/api/spectrum/1IoQq7VsZ9b/structure.png?h=300&w=458 "(3S,6S,7aR)-6-Benzyl-3-tert-butyl-1,6,7,7a-tetrahydro-5-oxopyrrolo[1,2-c]oxazolidine-7a-carboxylic acid 7a-methyl ester")
