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5H-Benzo[3,4]cyclobuta[1,2]cycloheptene, 4b,6,9,9a-tetrahydro-
SpectraBase Compound ID 7uguC44iH8Q
InChI InChI=1S/C13H14/c1-2-6-10-11(7-3-1)13-9-5-4-8-12(10)13/h1-2,4-5,8-11H,3,6-7H2
InChIKey REBHFHZCKXFYIV-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C13H14
Exact Mass 170.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6dd5VGU13y
Name 5H-Benzo[3,4]cyclobuta[1,2]cycloheptene, 4b,6,9,9a-tetrahydro-
CAS Registry Number 68913-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14
InChI InChI=1S/C13H14/c1-2-6-10-11(7-3-1)13-9-5-4-8-12(10)13/h1-2,4-5,8-11H,3,6-7H2
InChIKey REBHFHZCKXFYIV-UHFFFAOYSA-N
Molecular Weight 170.255 g/mol
SMILES c12c(cccc2)C2C1CCC=CC2
SPLASH splash10-004l-0900000000-8a226511535cf84521a8
Source of Spectrum B-31-1602-0
Synonyms 5,6,9,9a-tetrahydro-4bH-benzo[3,4]cyclobuta[1,2-a]cycloheptene 5,8,9,9a-tetrahydro-4bh-benzo[3,4]cyclobuta[1,2]cycloheptene
Wiley ID 1167664