| SpectraBase Spectrum ID |
IDAYBEjZZVh |
| Name |
3'-Iodo-5-(4,4,5,5-tetramethyl[1,3,2]-dioxaboroncyclopentyl)hexa[1-(1,4-dihexylphenyl)benzene] |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
2175.499910977 u |
| Formula |
C150H204BIO2 |
| InChI |
InChI=1S/C150H204BIO2/c1-17-29-41-53-71-124-102-138(115-85-66-86-116(96-115)141-105-129(76-58-46-34-22-6)142(106-128(141)75-57-45-33-21-5)119-89-68-90-120(98-119)145-109-133(80-62-50-38-26-10)146(123-93-70-94-136(152)100-123)110-132(145)79-61-49-37-25-9)125(72-54-42-30-18-2)101-137(124)113-83-65-84-114(95-113)139-103-127(74-56-44-32-20-4)140(104-126(139)73-55-43-31-19-3)117-87-67-88-118(97-117)143-107-131(78-60-48-36-24-8)144(108-130(143)77-59-47-35-23-7)121-91-69-92-122(99-121)147-111-135(82-64-52-40-28-12)148(112-134(147)81-63-51-39-27-11)151-153-149(13,14)150(15,16)154-151/h65-70,83-112H,17-64,71-82H2,1-16H3 |
| InChIKey |
XABGXRNIZXXAMR-UHFFFAOYSA-N |
| Molecular Weight |
2176.994 g/mol |
| SMILES |
C1(OB(OC1(C)C)C1=CC(CCCCCC)=C(C=C1CCCCCC)C=1C=C(C2=CC(CCCCCC)=C(C=C2CCCCCC)C=2C=C(C3=CC(CCCCCC)=C(C=C3CCCCCC)C3=CC(C4=CC(CCCCCC)=C(C=C4CCCCCC)C4=CC(C5=CC(CCCCCC)=C(C=C5CCCCCC)C5=CC(C6=CC(CCCCCC)=C(C=C6CCCCCC)C6=CC(I)=CC=C6)=CC=C5)=CC=C4)=CC=C3)C=CC2)C=CC1)(C)C |
![3'-Iodo-5-(4,4,5,5-tetramethyl[1,3,2]-dioxaboroncyclopentyl)hexa[1-(1,4-dihexylphenyl)benzene]](/api/spectrum/IDAYBEjZZVh/structure.png?h=300&w=458 "3'-Iodo-5-(4,4,5,5-tetramethyl[1,3,2]-dioxaboroncyclopentyl)hexa[1-(1,4-dihexylphenyl)benzene]")
