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4-Butoxy-3-methoxy-5H-benzocycloheptene
SpectraBase Compound ID CHTRVUSOmtT
InChI InChI=1S/C16H20O2/c1-3-4-12-18-16-14-9-7-5-6-8-13(14)10-11-15(16)17-2/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKey KMAALLQGVIWHOC-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2B3eoakw4G
Name 4-Butoxy-3-methoxy-5H-benzocycloheptene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-3-4-12-18-16-14-9-7-5-6-8-13(14)10-11-15(16)17-2/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKey KMAALLQGVIWHOC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200400122
Molecular Weight 244.334 g/mol
SMILES c1(c(OCCCC)c2c(C=CC=CC2)cc1)OC
SPLASH splash10-01bl-0910000000-8d8f32f2600729f0932a
Source of Spectrum QA-51-815-4d
Synonyms 4-Butoxy-3-methoxy-5H-benzo[7]annulene
Wiley ID 1795958