Debug Info

object
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_id
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7AHYaIs39M0
spectrumID
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7AHYaIs39M0
cost
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specType
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Mass Spectrum (GC)
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1-(tert-Butylcarbonyl)-trans-2-(4-chlorophenyl)-trans-3-propenylcyclopropane
SpectraBase Compound ID 7BEdxBs48y9
InChI InChI=1S/C17H21ClO/c1-5-6-13-14(11-7-9-12(18)10-8-11)15(13)16(19)17(2,3)4/h5-10,13-15H,1-4H3/b6-5+/t13-,14+,15+/m0/s1
InChIKey DCYUUWYOWXCEGI-VREHXWONSA-N
Mol Weight 276.81 g/mol
Molecular Formula C17H21ClO
Exact Mass 276.128093 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AHYaIs39M0
Name 1-(tert-Butylcarbonyl)-trans-2-(4-chlorophenyl)-trans-3-propenylcyclopropane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21ClO
InChI InChI=1S/C17H21ClO/c1-5-6-13-14(11-7-9-12(18)10-8-11)15(13)16(19)17(2,3)4/h5-10,13-15H,1-4H3/b6-5+/t13-,14+,15+/m0/s1
InChIKey DCYUUWYOWXCEGI-VREHXWONSA-N
Molecular Weight 276.807 g/mol
SMILES [C@]1([C@](c2ccc(cc2)Cl)([C@@]1(\C=C\C)[H])[H])(C(C(C)(C)C)=O)[H]
SPLASH splash10-0a4l-9700000000-f5c3f93356fb2718d42a
Source of Spectrum J-62-959-7
Synonyms 1-{(1R,2R,3S)-2-(4-chlorophenyl)-3-[(1E)-1-propenyl]cyclopropyl}-2,2-dimethyl-1-propanone
Wiley ID 1280297
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