| SpectraBase Spectrum ID |
DvKEkvMH9BN |
| Name |
(4R,4ar,7as)-2,2-Dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4A,6,7,7A-tetrahydro-4H-[1,3]dioxino[5,4-B]pyrrole-5-carboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.230787781 u |
| Formula |
C19H33NO6 |
| InChI |
InChI=1S/C19H33NO6/c1-17(2,3)25-14(21)11-13-15-12(23-19(7,8)24-13)9-10-20(15)16(22)26-18(4,5)6/h12-13,15H,9-11H2,1-8H3/t12-,13+,15+/m0/s1 |
| InChIKey |
ZMPXHIZQJUGREP-GZBFAFLISA-N |
| Molecular Weight |
371.474 g/mol |
| SMILES |
C(N1[C@]2([C@](OC(O[C@@]2([H])CC1)(C)C)(CC(OC(C)(C)C)=O)[H])[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859504 |
![(4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylic acid tert-butyl ester](/api/spectrum/DvKEkvMH9BN/structure.png?h=300&w=458 "(4R,4aR,7aS)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrole-5-carboxylic acid tert-butyl ester")
