| SpectraBase Spectrum ID |
5tdumFV2dSS |
| Name |
(R)-1-(Allyloxymethyl)pent-2-ynyl 4-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.110672646 u |
| Formula |
C16H17NO5 |
| InChI |
InChI=1S/C16H17NO5/c1-3-5-6-15(12-21-11-4-2)22-16(18)13-7-9-14(10-8-13)17(19)20/h4,7-10,15H,2-3,11-12H2,1H3/t15-/m1/s1 |
| InChIKey |
BJDISABJTKXSCP-OAHLLOKOSA-N |
| SMILES |
C=1(C=CC([N+]([O-])=O)=CC1)C(=O)O[C@@](COCC=C)(C#CCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953908 |
