| SpectraBase Spectrum ID |
3fNAWFfXpuv |
| Name |
6-Caprolactam |
| CAS Registry Number |
105-60-2 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
113.084063977 u |
| Formula |
C6H11NO |
| InChI |
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| InChIKey |
JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| Molecular Weight |
113.160 g/mol |
| Number of Peaks |
50 |
| RI1 |
1272 |
| RI2 |
950 |
| RI3 |
1553 |
| RI4 |
1516 |
| SMILES |
N1C(CCCCC1)=O |
| SPLASH |
splash10-0a4l-9100000000-26495a19c92928a21b6b |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2H-Azepin-2-one, hexahydro- |
| Wiley ID |
LM_FFNSC3_3086 |
