| SpectraBase Spectrum ID |
4JxsG0G2PDD |
| Name |
1-Benzyl-5-hydroxy-5-heptyl-4-iodopyrrol-2(5H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24INO2 |
| InChI |
InChI=1S/C18H24INO2/c1-2-3-4-5-9-12-18(22)16(19)13-17(21)20(18)14-15-10-7-6-8-11-15/h6-8,10-11,13,22H,2-5,9,12,14H2,1H3 |
| InChIKey |
RZSKPONZFKVXQI-UHFFFAOYSA-N |
| Molecular Weight |
413.299 g/mol |
| SMILES |
OC1(N(C(C=C1I)=O)Cc1ccccc1)CCCCCCC |
| SPLASH |
splash10-0006-9000000000-8dd72ce0d05c3c6a007e |
| Source of Spectrum |
KC-61-257-4 |
| Synonyms |
1-benzyl-5-heptyl-5-hydroxy-4-iodo-1,5-dihydro-2H-pyrrol-2-one |
| Wiley ID |
1627004 |
