Debug Info

object
{15}
_id
:
Hm2fe6eit6g
spectrumID
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Hm2fe6eit6g
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:301010:1
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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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spectralOutlier
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compound
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lastUpdated
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1735074081058
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(+-)-r-1-Phenyl-1-methoxy-c-2-fluorobenzocycloheptane
SpectraBase Compound ID 6iKHxCHvbCP
InChI InChI=1S/C18H19FO/c1-20-18(15-10-3-2-4-11-15)16-12-6-5-8-14(16)9-7-13-17(18)19/h2-6,8,10-12,17H,7,9,13H2,1H3/t17-,18-/m0/s1
InChIKey KTIZESXHZXAZHR-ROUUACIJSA-N
Mol Weight 270.35 g/mol
Molecular Formula C18H19FO
Exact Mass 270.141993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hm2fe6eit6g
Name (+-)-r-1-Phenyl-1-methoxy-c-2-fluorobenzocycloheptane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19FO
InChI InChI=1S/C18H19FO/c1-20-18(15-10-3-2-4-11-15)16-12-6-5-8-14(16)9-7-13-17(18)19/h2-6,8,10-12,17H,7,9,13H2,1H3/t17-,18-/m0/s1
InChIKey KTIZESXHZXAZHR-ROUUACIJSA-N
Molecular Weight 270.347 g/mol
SMILES [C@@]1(c2c(CCC[C@@]1(F)[H])cccc2)(c1ccccc1)OC
SPLASH splash10-00vl-2980000000-8d878cfd7a392b7874d3
Source of Spectrum F-50-12242-3
Synonyms (5S,6S)-6-Fluoro-5-methoxy-5-phenyl-6,7,8,9-tetrahydro-5H-benzocycloheptene (5S,6S)-6-fluoro-5-methoxy-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene (5S,6S)-6-fluoro-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-yl methyl ether
Wiley ID 789857