| SpectraBase Spectrum ID |
9TylbyIbx1o |
| Name |
1,4-Dioxaspiro[4.5]decane, 7-(1,3-benzodioxol-5-yl)-8-(methoxycarbonylamino)-9-(tetrahydropyran-2-yloxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.189316890 u |
| Formula |
C22H29NO8 |
| InChI |
InChI=1S/C22H29NO8/c1-25-21(24)23-20-15(14-5-6-16-17(10-14)28-13-27-16)11-22(29-8-9-30-22)12-18(20)31-19-4-2-3-7-26-19/h5-6,10,15,18-20H,2-4,7-9,11-13H2,1H3,(H,23,24) |
| InChIKey |
IUTVATPRPUMHQX-UHFFFAOYSA-N |
| Molecular Weight |
435.473 g/mol |
| SMILES |
C(=O)(NC1C(OC2OCCCC2)CC2(CC1C1=CC=C3OCOC3=C1)OCCO2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957994 |
![1,4-Dioxaspiro[4.5]decane, 7-(1,3-benzodioxol-5-yl)-8-(methoxycarbonylamino)-9-(tetrahydropyran-2-yloxy)-](/api/spectrum/9TylbyIbx1o/structure.png?h=300&w=458 "1,4-Dioxaspiro[4.5]decane, 7-(1,3-benzodioxol-5-yl)-8-(methoxycarbonylamino)-9-(tetrahydropyran-2-yloxy)-")
