| SpectraBase Spectrum ID |
HMZj3A0G0OB |
| Name |
Prunasinamide, N,N,o,o,o,o-hexakismethyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.210052335 u |
| Formula |
C20H31NO7 |
| InChI |
InChI=1S/C20H31NO7/c1-21(2)19(22)15(13-10-8-7-9-11-13)28-20-18(26-6)17(25-5)16(24-4)14(27-20)12-23-3/h7-11,14-18,20H,12H2,1-6H3/t14-,15-,16-,17+,18-,20+/m1/s1 |
| InChIKey |
ISKYAZHXXBGNPF-MWKCUULMSA-N |
| Molecular Weight |
397.468 g/mol |
| SMILES |
COC[C@]1(O[C@@](O[C@](C2=CC=CC=C2)(C(N(C)C)=O)[H])([C@](OC)([C@@](OC)([C@@]1(OC)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940379 |
