| SpectraBase Spectrum ID |
2Ld3AtRKOMJ |
| Name |
(R)-(-)-1-(4'-Nitrophenyl)-4-(n-butyl)hexa-4,5-dien-1-yn-3-ol |
| Alternate Name(s) |
(3R)-4-butyl-1-(4-nitrophenyl)-4,5-hexadien-1-yn-3-ol
(3R)-4-ethenylidene-1-(4-nitrophenyl)-1-octyn-3-ol
(3R)-1-(4-nitrophenyl)-4-vinylidene-oct-1-yn-3-ol
(3R)-4-ethenylidene-1-(4-nitrophenyl)oct-1-yn-3-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NO3 |
| InChI |
InChI=1S/C16H17NO3/c1-3-5-6-14(4-2)16(18)12-9-13-7-10-15(11-8-13)17(19)20/h7-8,10-11,16,18H,2-3,5-6H2,1H3/t16-/m1/s1 |
| InChIKey |
DBESGUYUWLTIPJ-MRXNPFEDSA-N |
| Molecular Weight |
271.316 g/mol |
| SMILES |
O[C@@](C(=C=C)CCCC)(C#Cc1ccc(N(=O)=O)cc1)[H] |
| SPLASH |
splash10-000i-0900000000-c5f85cbc86ec045236b5 |
| Source of Spectrum |
KD-14-3664-3 |
| Wiley ID |
1636484 |
