Debug Info

object
{15}
_id
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440nGxq2NM
spectrumID
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440nGxq2NM
cost
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1
specType
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131072
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dbLocation
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WMSL3X:103317:1
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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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(4S,5S)-Dimethyl (E)-8-(4'-methylphenyl)spiro[2.5]oct-7-ene-4,5-dicarboxylate
SpectraBase Compound ID H5Osns3jRkD
InChI InChI=1S/C19H22O4/c1-12-4-6-13(7-5-12)15-9-8-14(17(20)22-2)16(18(21)23-3)19(15)10-11-19/h4-7,9,14,16H,8,10-11H2,1-3H3/t14-,16+/m0/s1
InChIKey CNBRROBFIPOMNC-GOEBONIOSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 440nGxq2NM
Name (4S,5S)-Dimethyl (E)-8-(4'-methylphenyl)spiro[2.5]oct-7-ene-4,5-dicarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-12-4-6-13(7-5-12)15-9-8-14(17(20)22-2)16(18(21)23-3)19(15)10-11-19/h4-7,9,14,16H,8,10-11H2,1-3H3/t14-,16+/m0/s1
InChIKey CNBRROBFIPOMNC-GOEBONIOSA-N
Molecular Weight 314.381 g/mol
SMILES C12(C(=CC[C@@]([C@@]2(C(=O)OC)[H])(C(=O)OC)[H])c2ccc(cc2)C)CC1
SPLASH splash10-0aba-0891000000-95e38168caad87a603e5
Source of Spectrum QE-8-2360-18
Synonyms Dimethyl (4S,5S)-8-(4-methylphenyl)spiro[2.5]oct-7-ene-4,5-dicarboxylate Dimethyl (E)-8-(4'-methylphenyl)spiro[2.5]oct-7-ene-4,5-dicarboxylate
Wiley ID 1557665
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