| SpectraBase Spectrum ID |
HzdTqos5s8A |
| Name |
(3S,4S)-3-[2-(Methoxycarbonyl)isopropyl]oxapane-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-8(7-10(12)14-2)9-5-3-4-6-15-11(9)13/h8-9H,3-7H2,1-2H3/t8?,9-/m0/s1 |
| InChIKey |
XSWSPFBGEMFIFI-GKAPJAKFSA-N |
| Molecular Weight |
214.261 g/mol |
| SMILES |
C1([C@](C(CC(=O)OC)C)(CCCCO1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8344 |
![(3S,4S)-3-[2-(Methoxycarbonyl)isopropyl]oxapane-2-one](/api/spectrum/HzdTqos5s8A/structure.png?h=300&w=458 "(3S,4S)-3-[2-(Methoxycarbonyl)isopropyl]oxapane-2-one")
