| SpectraBase Spectrum ID |
FlaR4hLmGpf |
| Name |
(1S,4R)-3-Bromanyl-4,7,7-trimethyl-2-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]bicyclo[2.2.1]hept-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.145263934 u |
| Formula |
C20H29Br |
| InChI |
InChI=1S/C20H29Br/c1-17(2)13-7-9-19(17,5)11-12(13)15-14-8-10-20(6,16(15)21)18(14,3)4/h11,13-14H,7-10H2,1-6H3/t13-,14-,19+,20+/m1/s1 |
| InChIKey |
TXZYHAYUKKYQAA-NSMLZSOPSA-N |
| Molecular Weight |
349.356 g/mol |
| SMILES |
[C@@]12(C(=C([C@@](CC2)(C1(C)C)[H])C1=C[C@@]2(CC[C@]1(C2(C)C)[H])C)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951272 |
![(1S,4R)-3-bromanyl-4,7,7-trimethyl-2-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]bicyclo[2.2.1]hept-2-ene](/api/spectrum/FlaR4hLmGpf/structure.png?h=300&w=458 "(1S,4R)-3-bromanyl-4,7,7-trimethyl-2-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]bicyclo[2.2.1]hept-2-ene")
