| SpectraBase Spectrum ID |
HO6rDkOHEgC |
| Name |
Benzeneethanol, 2-[(acetyloxy)methyl]-3-methoxy-.alpha.,6-dimethyl-, acetate, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.146723803 u |
| Formula |
C16H22O5 |
| InChI |
InChI=1S/C16H22O5/c1-10-6-7-16(19-5)15(9-20-12(3)17)14(10)8-11(2)21-13(4)18/h6-7,11H,8-9H2,1-5H3/t11-/m0/s1 |
| InChIKey |
DLJHYFSHUWJTHX-NSHDSACASA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
C(OC(C)=O)C1=C(C[C@@](OC(C)=O)(C)[H])C(C)=CC=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86976 |
![Benzeneethanol, 2-[(acetyloxy)methyl]-3-methoxy-.alpha.,6-dimethyl-, acetate, (S)-](/api/spectrum/HO6rDkOHEgC/structure.png?h=300&w=458 "Benzeneethanol, 2-[(acetyloxy)methyl]-3-methoxy-.alpha.,6-dimethyl-, acetate, (S)-")
