| SpectraBase Spectrum ID |
66qSNoPpw3u |
| Name |
6-Hydroxy-5,7-dimethoxy-1,4-dioxepan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.084123546 u |
| Formula |
C7H14O5 |
| InChI |
InChI=1S/C7H14O5/c1-9-6-5(8)7(10-2)12-4-3-11-6/h5-8H,3-4H2,1-2H3/t5-,6+,7- |
| InChIKey |
BCOAELXJRSIHNY-KVSKUHBBSA-N |
| Molecular Weight |
178.184 g/mol |
| SMILES |
[C@]1([C@](OCCO[C@]1(OC)[H])(OC)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913471 |
