| SpectraBase Spectrum ID |
AsNgr2k0mfj |
| Name |
tert-butyl N-[(1S)-1-[(2S)-2-hydroxybut-3-ynyl]hept-5-ynyl]carbamate |
| Appearance |
Colorless foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.183443666 u |
| Formula |
C16H25NO3 |
| InChI |
InChI=1S/C16H25NO3/c1-6-8-9-10-11-13(12-14(18)7-2)17-15(19)20-16(3,4)5/h2,13-14,18H,9-12H2,1,3-5H3,(H,17,19)/t13-,14+/m0/s1 |
| InChIKey |
NWIHQXUZBCDEJH-UONOGXRCSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601163 |
| Molecular Weight |
279.380 g/mol |
| Optical Rotation |
[a]D20 = -19.6 (c = 1.00, CHCl3) |
| Quality |
267 |
| Reported Formula |
C16H25NO3 |
| SMILES |
O[C@@](C[C@](CCCC#CC)(NC(=O)OC(C)(C)C)[H])(C#C)[H] |
| SPLASH |
splash10-0a4l-9000000000-ea188c65279257dd7d86 |
| Source of Spectrum |
QE-22-SM31-56 (DOI: 10.1002/chem.201601163) |
| Wiley ID |
1903423 |
![tert-butyl N-[(1S)-1-[(2S)-2-hydroxybut-3-ynyl]hept-5-ynyl]carbamate](/api/spectrum/AsNgr2k0mfj/structure.png?h=300&w=458 "tert-butyl N-[(1S)-1-[(2S)-2-hydroxybut-3-ynyl]hept-5-ynyl]carbamate")
