Debug Info

object
{15}
_id
:
KIj1NYC3d7G
spectrumID
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KIj1NYC3d7G
cost
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specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:470793:1
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)
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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1-Adamantanecarboxylic acid, 2-methoxy-4-bromophenyl ester
SpectraBase Compound ID 133ysP4OGwR
InChI InChI=1S/C18H21BrO3/c1-21-16-7-14(19)2-3-15(16)22-17(20)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3/t11-,12+,13-,18-
InChIKey LJDGRXMTDOJCEU-UHFFFAOYSA-N
Mol Weight 365.27 g/mol
Molecular Formula C18H21BrO3
Exact Mass 364.067408 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIj1NYC3d7G
Name 1-Adamantanecarboxylic acid, 2-methoxy-4-bromophenyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21BrO3
InChI InChI=1S/C18H21BrO3/c1-21-16-7-14(19)2-3-15(16)22-17(20)18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13H,4-6,8-10H2,1H3/t11-,12+,13-,18-
InChIKey LJDGRXMTDOJCEU-UHFFFAOYSA-N
Molecular Weight 365.267 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(Oc1ccc(cc1OC)Br)=O
SPLASH splash10-000i-3900000000-154a30c377c07ee81d6f
Source of Spectrum TIPS-2023-113-0
Wiley ID 1884821
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