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Bicyclo[4.2.0]octa-1,3,5-triene, 2-iodo-3-pentyl-
SpectraBase Compound ID BCNZBidbpVo
InChI InChI=1S/C13H17I/c1-2-3-4-5-11-7-6-10-8-9-12(10)13(11)14/h6-7H,2-5,8-9H2,1H3
InChIKey YZNVBSMAWWZGON-UHFFFAOYSA-N
Mol Weight 300.18 g/mol
Molecular Formula C13H17I
Exact Mass 300.037496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 986PffpD4qi
Name Bicyclo[4.2.0]octa-1,3,5-triene, 2-iodo-3-pentyl-
CAS Registry Number 77130-60-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17I
InChI InChI=1S/C13H17I/c1-2-3-4-5-11-7-6-10-8-9-12(10)13(11)14/h6-7H,2-5,8-9H2,1H3
InChIKey YZNVBSMAWWZGON-UHFFFAOYSA-N
Molecular Weight 300.183 g/mol
SMILES c12c(c(CCCCC)ccc2CC1)I
SPLASH splash10-014i-0924000000-604ada7344f1de5fc067
Source of Spectrum F-36-2439-0
Synonyms 2-iodo-3-pentylbicyclo[4.2.0]octa-1,3,5-triene 3-iodo-4-n-pentyl benzocyclobutene
Wiley ID 1302460