Debug Info

object
{15}
_id
:
IfhPRfkSiY9
spectrumID
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IfhPRfkSiY9
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMSL3X:218595:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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compound
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lastUpdated
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1735074081058
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false

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(6'S)-Cryptocapsol
SpectraBase Compound ID A7gWstNDdnq
InChI InChI=1S/C40H58O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,37,41-42H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,37-,40-/m0/s1
InChIKey FFHJEJHNNTVNNW-FRDYVPPLSA-N
Mol Weight 570.9 g/mol
Molecular Formula C40H58O2
Exact Mass 570.443681 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfhPRfkSiY9
Name (6'S)-Cryptocapsol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O2
InChI InChI=1S/C40H58O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,37,41-42H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,37-,40-/m0/s1
InChIKey FFHJEJHNNTVNNW-FRDYVPPLSA-N
Molecular Weight 570.902 g/mol
SMILES O[C@]1(CC([C@]([C@](\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)C)C)(O)[H])(C1)C)(C)C)[H]
SPLASH splash10-052f-7900000000-bee028b6ead3118c6c54
Source of Spectrum H-84-3816-5
Synonyms (6' S)- .beta.,.kappa.-Carotene-3',6'-diol
Wiley ID 847754
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