Debug Info

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FIBmhbRhn1q
spectrumID
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FIBmhbRhn1q
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N-heptyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide
SpectraBase Compound ID HzUr9BUq1Jq
InChI InChI=1S/C19H27NO2/c1-4-5-6-7-8-15-20-18(21)17-11-9-16(10-12-17)13-14-19(2,3)22/h9-12,22H,4-8,15H2,1-3H3,(H,20,21)
InChIKey ZHRKTCURIMTOLG-UHFFFAOYSA-N
Mol Weight 301.43 g/mol
Molecular Formula C19H27NO2
Exact Mass 301.204179 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIBmhbRhn1q
Name N-heptyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO2
InChI InChI=1S/C19H27NO2/c1-4-5-6-7-8-15-20-18(21)17-11-9-16(10-12-17)13-14-19(2,3)22/h9-12,22H,4-8,15H2,1-3H3,(H,20,21)
InChIKey ZHRKTCURIMTOLG-UHFFFAOYSA-N
Molecular Weight 301.430 g/mol
SMILES N(C(c1ccc(C#CC(O)(C)C)cc1)=O)CCCCCCC
SPLASH splash10-000f-9620000000-22f157de344b02bada95
Synonyms N-heptyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
Wiley ID 1511474
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