| SpectraBase Spectrum ID |
8MnZBkFcbOW |
| Name |
Aplysin |
| CAS Registry Number |
6790-63-2 |
| 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 |
294.061928231 u |
| Formula |
C15H19BrO |
| InChI |
InChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)6-5-10(2)15(14,4)17-13/h7-8,10H,5-6H2,1-4H3/t10-,14-,15-/m0/s1 |
| InChIKey |
AZMIIVUEOLBHBL-LKTVYLICSA-N |
| Molecular Weight |
295.220 g/mol |
| Number of Peaks |
50 |
| RI1 |
1819 |
| RI2 |
1497 |
| SMILES |
c1(Br)c(cc2O[C@@]3([C@](c2c1)(CC[C@@]3(C)[H])C)C)C |
| SPLASH |
splash10-0040-1290000000-9a23ee578c582026cb00 |
| 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 |
1H-Cyclopenta[b]benzofuran, 7-bromo-2,3,3a,8b-tetrahydro -3,3a,6,8b-tetramethyl-, (3S,3aS,8bS)- |
| Wiley ID |
LM_FFNSC3_1985 |
![(3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzoxole](/api/spectrum/8MnZBkFcbOW/structure.png?h=300&w=458 "(3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzoxole")
