| SpectraBase Spectrum ID |
CANgrruHDLI |
| Name |
p-nitrobenzoate of lachnellulone |
| CAS Registry Number |
116837-86-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H31NO8 |
| InChI |
InChI=1S/C25H31NO8/c1-3-5-7-9-20-23(34-24(28)16-10-12-17(13-11-16)26(30)31)22(27)21(25(29)33-20)19-15-14-18(32-19)8-6-4-2/h10-13,18,20,23H,3-9,14-15H2,1-2H3/b21-19+ |
| InChIKey |
NBQSUXGBKXOARX-XUTLUUPISA-N |
| Molecular Weight |
473.522 g/mol |
| SMILES |
C1(\C(C(OC(C1OC(c1ccc(N(=O)=O)cc1)=O)CCCCC)=O)=C\1OC(CCCC)CC1)=O |
| SPLASH |
splash10-0w29-0951000000-f21132ab39bf41080b35 |
| Source of Spectrum |
I-66-511-7 |
| Synonyms |
(5E)-5-(5-butyldihydro-2(3H)-furanylidene)-4,6-dioxo-2-pentyltetrahydro-2H-pyran-3-yl 4-nitrobenzoate |
| Wiley ID |
1393635 |
