SpectraBase Spectrum ID |
5BOVlw7d4hi |
Name |
1,4-Dioxa-8-azaspiro[4.5]decane-8-ethanol, 9-(3,4-dimethoxyphenyl)-6-ethyl-, trans- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
351.204573033 u |
Formula |
C19H29NO5 |
InChI |
InChI=1S/C19H29NO5/c1-4-15-13-20(7-8-21)16(12-19(15)24-9-10-25-19)14-5-6-17(22-2)18(11-14)23-3/h5-6,11,15-16,21H,4,7-10,12-13H2,1-3H3/t15-,16-/m1/s1 |
InChIKey |
ZRYLZYCTXWBKOG-HZPDHXFCSA-N |
Molecular Weight |
351.443 g/mol |
SMILES |
C12(C[C@](C=3C=C(OC)C(=CC3)OC)(N(C[C@]1(CC)[H])CCO)[H])OCCO2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962478 |