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Ambrox
SpectraBase Compound ID 4AvE247wf56
InChI InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m1/s1
InChIKey YPZUZOLGGMJZJO-CLWVCHIJSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFFG9TsibMh
Name Ambrox
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O
GC Oven Program Oven temp 230oC, Split injector
InChI InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m1/s1
InChIKey YPZUZOLGGMJZJO-CLWVCHIJSA-N
Instrument Name Agilent 5975C MSD
Ionization Type EI
Molecular Weight 236.399 g/mol
SMILES [C@]12([C@]3([C@](CC[C@@]2(OCC1)C)(C(CCC3)(C)C)[H])C)[H]
SPLASH splash10-0089-9040000000-0c0c555ea86b04d8bc8e
Source of Spectrum EP3760716A1
Wiley ID 1877392