| SpectraBase Spectrum ID |
HGH7BVS2QhB |
| Name |
Trans-3-benzyl-2-ethyl-.gamma.-butyrolactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-2-12-11(9-15-13(12)14)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11-,12+/m0/s1 |
| InChIKey |
DEANMQGRQGFEOX-NWDGAFQWSA-N |
| Molecular Weight |
204.269 g/mol |
| SMILES |
C1(OC[C@@]([C@]1(CC)[H])(CC=1C=CC=CC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97908 |
