| SpectraBase Spectrum ID |
ACT0cf4vHzv |
| Name |
1-[(Benzyloxy)imino]-4-o-acetyl-5,6-dideoxy-2,3-o-isopyopylidene-D-allo-hex-5-yne |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.141972775 u |
| Formula |
C18H21NO5 |
| InChI |
InChI=1S/C18H21NO5/c1-5-15(22-13(2)20)17-16(23-18(3,4)24-17)11-19-21-12-14-9-7-6-8-10-14/h1,6-11,15-17H,12H2,2-4H3/b19-11+/t15-,16+,17-/m1/s1 |
| InChIKey |
UMYDSUWDSKCVHH-WTFVRGDPSA-N |
| Molecular Weight |
331.368 g/mol |
| SMILES |
[C@@]1([C@@](OC(O1)(C)C)(\C=N\OCC1=CC=CC=C1)[H])([C@@](C#C)(OC(=O)C)[H])[H] |
![1-[(Benzyloxy)imino]-4-o-acetyl-5,6-dideoxy-2,3-o-isopyopylidene-D-allo-hex-5-yne](/api/spectrum/ACT0cf4vHzv/structure.png?h=300&w=458 "1-[(Benzyloxy)imino]-4-o-acetyl-5,6-dideoxy-2,3-o-isopyopylidene-D-allo-hex-5-yne")
