Debug Info

object
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_id
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LGH9Rzl4sDu
spectrumID
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LGH9Rzl4sDu
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analyticalTechnique
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Mass Spectrum (GC)
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compound
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trans 2-(2-phenylcyclopropyl)cycloheptanone
SpectraBase Compound ID 6Z8AdbU3x7k
InChI InChI=1S/C16H20O/c17-16-10-6-2-5-9-13(16)15-11-14(15)12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11H2/t13?,14-,15-/m0/s1
InChIKey QZPRDFIPZSERGM-FGRDXJNISA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGH9Rzl4sDu
Name trans 2-(2-phenylcyclopropyl)cycloheptanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c17-16-10-6-2-5-9-13(16)15-11-14(15)12-7-3-1-4-8-12/h1,3-4,7-8,13-15H,2,5-6,9-11H2/t13?,14-,15-/m0/s1
InChIKey QZPRDFIPZSERGM-FGRDXJNISA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 228.335 g/mol
SMILES C1C(C(CCCC1)[C@]1([C@@](C1)(c1ccccc1)[H])[H])=O
SPLASH splash10-014i-3900000000-9ba069c2224f22b726af
Source of Spectrum AJO-6-SM7-3q
Synonyms 2-((1R,2R)-2-phenylcyclopropyl)cycloheptan-1-one
Wiley ID 1813056
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