Debug Info

object
{15}
_id
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1uM4RVTOMWG
spectrumID
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1uM4RVTOMWG
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:326414:1
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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lastUpdated
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1735074081058
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(12R)-12-hydroxy-16-heptadecynoic acid
SpectraBase Compound ID 5WHW20hcy89
InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m0/s1
InChIKey HBFCVDJQUPEEIC-INIZCTEOSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uM4RVTOMWG
Name (12R)-12-hydroxy-16-heptadecynoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h1,16,18H,3-15H2,(H,19,20)/t16-/m0/s1
InChIKey HBFCVDJQUPEEIC-INIZCTEOSA-N
Molecular Weight 282.424 g/mol
SMILES O[C@](CCCCCCCCCCC(=O)O)(CCCC#C)[H]
SPLASH splash10-0007-9710000000-1e9f32e33384e2f2c50a
Source of Spectrum E1-36-1422-8
Synonyms (12R)-12-hydroxyheptadec-16-ynoic acid (12R)-12-oxidanylheptadec-16-ynoic acid
Wiley ID 1574679
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