| CAS Number: 73492-35-0 1-(4-bromophenyl)-2,2-dimethylpropan-1-ol |
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| General Information | ||||||||
| Product Number: 73492350
CAS Registry Number: 73492-35-0
Name:
Benzenemethanol, 4-bromo-α-(1,1-dimethylethyl)-
Benzyl alcohol, p-bromo-α-tert-butyl- (7CI); 1-(4-Bromophenyl)-2,2-dimethylpropan-1-ol
Chemical Formula: C11H15BrO
Exact Mass: 242.03
Molecular Weight: 243.14
m/z: 242.03 (100.0%), 244.03 (97.5%), 243.03 (11.9%), 245.03 (11.8%)
Elemental Analysis: C, 54.34; H, 6.22; Br, 32.86; O, 6.58
InChI: InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3/t22-,23-,24-,27+,28-/m1/s1
InChIKey: CAOHZEUEVKYHPF-XWHOPEMDSA-N
Canonical SMILES : CC(C)CCC(C(C(=O)OC)O)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O
Isomeric SMILES: CC(C)CC[C@@]([C@@H](C(=O)OC)O)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O
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Specification |
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98% |
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| References | ||||||||
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