| SpectraBase Spectrum ID |
KoM8i2EGM69 |
| Name |
4B.beta,8B.beta,12B..beta.-Trichloro-12D..beta.-methyl-4B,8B,12B,12D-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.023933583 u |
| Formula |
C23H15Cl3 |
| InChI |
InChI=1S/C23H15Cl3/c1-20-21(24)14-8-2-3-9-15(14)22(20,25)18-12-6-7-13-19(18)23(20,26)17-11-5-4-10-16(17)21/h2-13H,1H3/t20-,21-,22+,23- |
| InChIKey |
ISAJSWRXLHBWFJ-NVNMMGJXSA-N |
| Molecular Weight |
397.732 g/mol |
| SMILES |
C12([C@]3(C=4C=CC=CC4[C@@]2(C=2C=CC=CC2[C@@]1(C=1C=CC=CC31)Cl)Cl)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962151 |
![4b.beta,8b.beta,12b..beta.-Trichloro-12d..beta.-methyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene](/api/spectrum/KoM8i2EGM69/structure.png?h=300&w=458 "4b.beta,8b.beta,12b..beta.-Trichloro-12d..beta.-methyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene")
