Debug Info

object
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_id
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CbXuUrZcWm1
spectrumID
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CbXuUrZcWm1
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3-Cyclohexyl-2-(cyclohexylmethyl)propionic acid methyl ester
SpectraBase Compound ID HQuMycaUCWA
InChI InChI=1S/C17H30O2/c1-19-17(18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h14-16H,2-13H2,1H3
InChIKey SCIMOTYNHBQLCC-UHFFFAOYSA-N
Mol Weight 266.42 g/mol
Molecular Formula C17H30O2
Exact Mass 266.22458 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbXuUrZcWm1
Name 3-cyclohexyl-2-(cyclohexylmethyl)propionic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O2
InChI InChI=1S/C17H30O2/c1-19-17(18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h14-16H,2-13H2,1H3
InChIKey SCIMOTYNHBQLCC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19861190212
Molecular Weight 266.425 g/mol
SMILES C(C(CC1CCCCC1)CC1CCCCC1)(=O)OC
SPLASH splash10-000l-8900000000-ddd86ddf941a76016ffe
Source of Spectrum K-119-496-496_3
Synonyms Methyl 3-cyclohexyl-2-(cyclohexylmethyl)propanoate
Wiley ID 1794453
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