| SpectraBase Spectrum ID |
51A5XSnwUbR |
| Name |
3,5-Heptanediol, 4-nitro-, monoacetate (ester), [3S-(3R*,4R*,5S*)]- |
| CAS Registry Number |
114454-88-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H17NO5 |
| InChI |
InChI=1S/C9H17NO5/c1-4-7(12)9(10(13)14)8(5-2)15-6(3)11/h7-9,12H,4-5H2,1-3H3/t7-,8+,9+/m1/s1 |
| InChIKey |
XADDQLLHBNICTM-VGMNWLOBSA-N |
| Molecular Weight |
219.237 g/mol |
| SMILES |
O[C@@]([C@](N(=O)=O)([C@@](OC(=O)C)(CC)[H])[H])(CC)[H] |
| SPLASH |
splash10-052f-9100000000-44918927825a5db7917c |
| Source of Spectrum |
H-71-12-5 |
| Synonyms |
(1S,2S,3R)-1-ethyl-3-hydroxy-2-nitropentyl acetate
[(2S,3S,4R)-4-hydroxy-3-nitro-2-pentan-2-yl]-acetate |
| Wiley ID |
1218645 |
![3,5-Heptanediol, 4-nitro-, monoacetate (ester), [3S-(3R*,4R*,5S*)]-](/api/spectrum/51A5XSnwUbR/structure.png?h=300&w=458 "3,5-Heptanediol, 4-nitro-, monoacetate (ester), [3S-(3R*,4R*,5S*)]-")
