SpectraBase Spectrum ID |
ESH9nvv2yHE |
Name |
(5R,1'R)-5-[1'-((methoxy)methoxy)ethyl]-2(5H)-furanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
172.073558862 u |
Formula |
C8H12O4 |
InChI |
InChI=1S/C8H12O4/c1-6(11-5-10-2)7-3-4-8(9)12-7/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1 |
InChIKey |
JSZCCBNGZYIYCF-RNFRBKRXSA-N |
Molecular Weight |
172.180 g/mol |
SMILES |
C1(O[C@](C=C1)([C@](OCOC)(C)[H])[H])=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808926 |