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Safrole
SpectraBase Compound ID IjTJynk25zp
InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChIKey ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mcwcIjh6fu
Name 1,3-Benzodioxole, 5-(2-propenyl)-
Alternate Name(s) Benzene, 4-allyl-1,2-(methylenedioxy)- (1,2-(Methylenedioxy)-4-allyl)benzene 1,3-Benzodioxole, 5-allyl- 1-Allyl-3,4-(methylenedioxy)benzene 3,4-(Methylenedioxy)allylbenzene 3-(3,4-Methylenedioxyphenyl)prop-1-ene 4-Allyl-1,2-(methylenedioxy)benzene 4-Allylpyrocatechol formaldehyde acetal 5-(2-Propenyl)-1,3-benzodioxole 5-Allyl-1,3-benzodioxole 5-Prop-2-enyl-1,3-benzodioxole Allylcatechol methylene ether Benzene, 1,2-methylenedioxy-4-allyl- Rhyuno oil Safrene Safrol Safrole Safrole MF Sassafras Shikimole Shikomol AI3-00514 BRN 0136380 CASWELL NO. 729 CCRIS 553 EINECS 202-345-4 EPA PESTICIDE CHEMICAL CODE 097901 HSDB 2653 NSC 11831 RCRA WASTE NO. U203
CAS Registry Number 94-59-7
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Formula C10H10O2
InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChIKey ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Molecular Weight 162.188 g/mol
SMILES C=CCc1cc2c(OCO2)cc1
SPLASH splash10-0ik9-4900000000-49e77c40a4896ce182c4
Source of Spectrum JZ-1992-4059-0
Wiley ID 1158581