SpectraBase Compound ID | 1xRtOrIyCKQ |
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InChI | InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-/t51-,52-,53-/m1/s1 |
InChIKey | ZEMPKEQAKRGZGQ-VBJOUPRGSA-N |
Mol Weight | 933.4 g/mol |
Molecular Formula | C57H104O9 |
Exact Mass | 932.768035 g/mol |
SpectraBase Spectrum ID | 5nBYoRdUFMx |
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Name | Castor oil |
Boiling Point | 313.0 °C |
CAS Registry Number | 8001-79-4 |
Compound Type | Pure |
Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C57H104O9 |
InChI | InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-/t51-,52-,53-/m1/s1 |
InChIKey | ZEMPKEQAKRGZGQ-VBJOUPRGSA-N |
Instrument Name | Bio-Rad FTS |
Melting Point | -12.0 °C |
Sadtler IR Number | BW3 333 |
Sample Description | yellow viscous liquid |
Source of Spectrum | Forensic Spectral Research |
Technique | Neat (KBr) |