| SpectraBase Spectrum ID |
7YR9uDTe2Qg |
| Name |
(4S)-4-Isopropyl-2-[3-[(4S)-4-isopropyl-2-oxazolin-2-yl]phenyl]-2-oxazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.183778019 u |
| Formula |
C18H24N2O2 |
| InChI |
InChI=1S/C18H24N2O2/c1-11(2)15-9-21-17(19-15)13-6-5-7-14(8-13)18-20-16(10-22-18)12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3/t15-,16-/m1/s1 |
| InChIKey |
ZGKPVKPCZOURSR-HZPDHXFCSA-N |
| Molecular Weight |
300.402 g/mol |
| SMILES |
C1(=N[C@](CO1)(C(C)C)[H])C1=CC(C2=N[C@@](C(C)C)(CO2)[H])=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875585 |
![(4S)-4-isopropyl-2-[3-[(4S)-4-isopropyl-2-oxazolin-2-yl]phenyl]-2-oxazoline](/api/spectrum/7YR9uDTe2Qg/structure.png?h=300&w=458 "(4S)-4-isopropyl-2-[3-[(4S)-4-isopropyl-2-oxazolin-2-yl]phenyl]-2-oxazoline")
